https://chemwiki.ch.ic.ac.uk/api.php?action=feedcontributions&feedformat=atom&user=Gvl07 2026-04-12T10:32:41Z User contributions MediaWiki 1.43.0 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/calendar&diff=499776 2015-06-19T19:31:35Z

<p>Gvl07: /* Calendar */</p> <hr /> <div>Back to the main [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group wiki-page]<br /> == Calendar ==<br /> <br /> {| class=&quot;wikitable&quot;<br /> |- <br /> ! 1 <br /> ! 2 <br /> ! 3 <br /> ! 4<br /> |-<br /> | Tricia (Done) <br /> | Bryan Ward (Done)<br /> | Claire Ashworth (Not Done)<br /> | Precious Ugbomah (Not Done)<br /> |- <br /> | Vincent Chen (Done)<br /> | Gabriel Lau (Done)<br /> | Rebecca Rowe (Not Done)<br /> | Ken Watson (Not Done)<br /> |- <br /> | Laila Bana (Not Done)<br /> | Oliver Benton (Not Done)<br /> | Christopher Sewell (Not Done)<br /> | Chen Chen ( Not Done)<br /> |- <br /> | Aiswarya Prabha (Not Done)<br /> |Ziyun Zhang (Done)<br /> |Richard Fogarty (Not Done)<br /> |Julie Schmauck ( Not Done )<br /> |<br /> |-<br /> |-)<br /> |}<br /> <br /> &lt;table border=&quot;1&quot; cellpadding=&quot;5&quot; width=&quot;1190&quot;&gt;<br /> &lt;tr bgcolor=&quot;#66CCFF&quot;&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Mon&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Tues&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Wed&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Thur&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Fri&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Sat&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Sun&lt;/th&gt;<br /> &lt;/tr&gt;<br /> <br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;&lt;span style=&quot;color:white&quot;&gt;'''1st June'''&lt;/span&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;2nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;3rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;4th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;5th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;6th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;7th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;8th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;9th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;10th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;11th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;12th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;13th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;14th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;15th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;16th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;17th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;18th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;19th&lt;br&gt;Bryan Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;20th&lt;br&gt;Bryan Away&lt;br&gt;Gabriel Away (Boulder Conference)&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;21st&lt;br&gt;Bryan Away&lt;br&gt;Gabriel Away (Boulder Conference)&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;22nd&lt;br&gt;Bryan Away&lt;br&gt;Gabriel Away (Boulder Conference)&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;23rd&lt;br&gt;Bryan Away&lt;br&gt;Gabriel Away (Boulder Conference)&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;24th&lt;br&gt;Bryan Away&lt;br&gt;Gabriel Away (Boulder Conference)&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;25th&lt;br&gt;Bryan Away&lt;br&gt;Richard F Exp&lt;br&gt;Gabriel Away (Boulder Conference)&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;26th&lt;br&gt;Bryan Away&lt;br&gt;Gabriel Away (Boulder Conference)&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;27th&lt;br&gt;Bryan Away&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;28th&lt;br&gt;Bryan Away&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td &gt;29th&lt;br&gt;Bryan Away&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;30th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;&lt;span style=&quot;color:white&quot;&gt;'''1st July'''&lt;/span&gt;&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;2nd&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;3rd&lt;br&gt;Tricia Away&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;4th&lt;br&gt;Tricia Away&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;5th&lt;br&gt;Tricia Away&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td &gt;6th&lt;br&gt;Tricia Away&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;7th&lt;br&gt;Richard F Exp&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;8th&lt;br&gt;Richard F Exp&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;9th&lt;br&gt;Richard F Exp&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;10th&lt;br&gt;Richard F Exp&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;11th&lt;br&gt;Gabriel Away (FOMMS Conference)&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;12th&lt;br&gt;Gabriel Away (FOMMS Conference)&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;13th&lt;br&gt;Richard F Away&lt;br&gt;Gabriel Away (FOMMS Conference)&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;14th&lt;br&gt;&lt;br&gt;Gabriel Away (FOMMS Conference)&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;15th&lt;br&gt;&lt;br&gt;Gabriel Away (FOMMS Conference)&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;16th&lt;br&gt;&lt;br&gt;Gabriel Away (FOMMS Conference)&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;17th&lt;br&gt;&lt;br&gt;Gabriel Away (FOMMS Conference)&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;18th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;19th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;20th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;21st&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;22nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;23rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;24th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;25th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;26th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;27th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;28th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;29th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;30th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;31st&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;&lt;span style=&quot;color:white&quot;&gt;'''1st August'''&lt;/span&gt;&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;2nd&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;3rd&lt;br&gt;Tricia Away&lt;br&gt;Richard F Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;4th&lt;br&gt;Tricia Away&lt;br&gt;Richard F Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;5th&lt;br&gt;Tricia Away&lt;br&gt;Richard F Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;6th&lt;br&gt;Tricia Away&lt;br&gt;Richard F Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;7th&lt;br&gt;Tricia Away&lt;br&gt;Richard F Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;8th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;9th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;10th&lt;br&gt;Tricia Away&lt;br&gt;Richard F Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;11th&lt;br&gt;Tricia Away&lt;br&gt;Richard F Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;12th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;13th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;14th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;15th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;16th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;17th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;18th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;19th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;20th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;21st&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;22nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;23rd&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;24th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;25th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;26th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;27th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;28th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;29th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;30th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;31st&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;&lt;span style=&quot;color:white&quot;&gt;'''1st September'''&lt;/span&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;2nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;3rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;4th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;5th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;6th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;7th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;8th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;9th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;10th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;11th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;12th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;13th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;14th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;15th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;16th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;17th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;18th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;19th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;20th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;21st&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;22nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;23rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;24th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;25th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;26th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;27th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;28th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;29th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;30th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;&lt;span style=&quot;color:white&quot;&gt;'''1st October'''&lt;/span&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;2nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;3rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;4th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;/table&gt;</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/calendar&diff=499768 2015-06-19T08:53:34Z

<p>Gvl07: </p> <hr /> <div>Back to the main [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group wiki-page]<br /> == Calendar ==<br /> <br /> {| class=&quot;wikitable&quot;<br /> |- <br /> ! 1 <br /> ! 2 <br /> ! 3 <br /> ! 4<br /> |-<br /> | Tricia (Done) <br /> | Bryan Ward (Done)<br /> | Claire Ashworth (Not Done)<br /> | Precious Ugbomah (Not Done)<br /> |- <br /> | Vincent Chen (Done)<br /> | Gabriel Lau (Not Done)<br /> | Rebecca Rowe (Not Done)<br /> | Ken Watson (Not Done)<br /> |- <br /> | Laila Bana (Not Done)<br /> | Oliver Benton (Not Done)<br /> | Christopher Sewell (Not Done)<br /> | Chen Chen ( Not Done)<br /> |- <br /> | Aiswarya Prabha (Not Done)<br /> |Ziyun Zhang (Done)<br /> |Richard Fogarty (Not Done)<br /> |Julie Schmauck ( Not Done )<br /> |<br /> |-<br /> |-)<br /> |}<br /> <br /> &lt;table border=&quot;1&quot; cellpadding=&quot;5&quot; width=&quot;1190&quot;&gt;<br /> &lt;tr bgcolor=&quot;#66CCFF&quot;&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Mon&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Tues&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Wed&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Thur&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Fri&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Sat&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Sun&lt;/th&gt;<br /> &lt;/tr&gt;<br /> <br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;&lt;span style=&quot;color:white&quot;&gt;'''1st June'''&lt;/span&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;2nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;3rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;4th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;5th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;6th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;7th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;8th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;9th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;10th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;11th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;12th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;13th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;14th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;15th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;16th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;17th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;18th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;19th&lt;br&gt;Bryan Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;20th&lt;br&gt;Bryan Away&lt;br&gt;Gabriel Away (Boulder Conference)&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;21st&lt;br&gt;Bryan Away&lt;br&gt;Gabriel Away (Boulder Conference)&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;22nd&lt;br&gt;Bryan Away&lt;br&gt;Gabriel Away (Boulder Conference)&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;23rd&lt;br&gt;Bryan Away&lt;br&gt;Gabriel Away (Boulder Conference)&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;24th&lt;br&gt;Bryan Away&lt;br&gt;Gabriel Away (Boulder Conference)&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;25th&lt;br&gt;Bryan Away&lt;br&gt;Richard F Exp&lt;br&gt;Gabriel Away (Boulder Conference)&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;26th&lt;br&gt;Bryan Away&lt;br&gt;Gabriel Away (Boulder Conference)&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;27th&lt;br&gt;Bryan Away&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;28th&lt;br&gt;Bryan Away&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td &gt;29th&lt;br&gt;Bryan Away&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;30th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;&lt;span style=&quot;color:white&quot;&gt;'''1st July'''&lt;/span&gt;&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;2nd&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;3rd&lt;br&gt;Tricia Away&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;4th&lt;br&gt;Tricia Away&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;5th&lt;br&gt;Tricia Away&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td &gt;6th&lt;br&gt;Tricia Away&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;7th&lt;br&gt;Richard F Exp&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;8th&lt;br&gt;Richard F Exp&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;9th&lt;br&gt;Richard F Exp&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;10th&lt;br&gt;Richard F Exp&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;11th&lt;br&gt;Gabriel Away (FOMMS Conference)&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;12th&lt;br&gt;Gabriel Away (FOMMS Conference)&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;13th&lt;br&gt;Richard F Away&lt;br&gt;Gabriel Away (FOMMS Conference)&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;14th&lt;br&gt;&lt;br&gt;Gabriel Away (FOMMS Conference)&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;15th&lt;br&gt;&lt;br&gt;Gabriel Away (FOMMS Conference)&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;16th&lt;br&gt;&lt;br&gt;Gabriel Away (FOMMS Conference)&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;17th&lt;br&gt;&lt;br&gt;Gabriel Away (FOMMS Conference)&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;18th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;19th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;20th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;21st&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;22nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;23rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;24th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;25th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;26th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;27th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;28th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;29th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;30th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;31st&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;&lt;span style=&quot;color:white&quot;&gt;'''1st August'''&lt;/span&gt;&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;2nd&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;3rd&lt;br&gt;Tricia Away&lt;br&gt;Richard F Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;4th&lt;br&gt;Tricia Away&lt;br&gt;Richard F Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;5th&lt;br&gt;Tricia Away&lt;br&gt;Richard F Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;6th&lt;br&gt;Tricia Away&lt;br&gt;Richard F Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;7th&lt;br&gt;Tricia Away&lt;br&gt;Richard F Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;8th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;9th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;10th&lt;br&gt;Tricia Away&lt;br&gt;Richard F Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;11th&lt;br&gt;Tricia Away&lt;br&gt;Richard F Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;12th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;13th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;14th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;15th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;16th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;17th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;18th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;19th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;20th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;21st&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;22nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;23rd&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;24th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;25th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;26th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;27th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;28th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;29th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;30th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;31st&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;&lt;span style=&quot;color:white&quot;&gt;'''1st September'''&lt;/span&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;2nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;3rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;4th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;5th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;6th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;7th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;8th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;9th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;10th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;11th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;12th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;13th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;14th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;15th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;16th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;17th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;18th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;19th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;20th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;21st&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;22nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;23rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;24th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;25th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;26th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;27th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;28th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;29th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;30th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;&lt;span style=&quot;color:white&quot;&gt;'''1st October'''&lt;/span&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;2nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;3rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;4th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;/table&gt;</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/calendar&diff=499767 2015-06-19T08:51:12Z

<p>Gvl07: </p> <hr /> <div>Back to the main [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group wiki-page]<br /> == Calendar ==<br /> <br /> {| class=&quot;wikitable&quot;<br /> |- <br /> ! 1 <br /> ! 2 <br /> ! 3 <br /> ! 4<br /> |-<br /> | Tricia (Done) <br /> | Bryan Ward (Done)<br /> | Claire Ashworth (Not Done)<br /> | Precious Ugbomah (Not Done)<br /> |- <br /> | Vincent Chen (Done)<br /> | Gabriel Lau (Not Done)<br /> | Rebecca Rowe (Not Done)<br /> | Ken Watson (Not Done)<br /> |- <br /> | Laila Bana (Not Done)<br /> | Oliver Benton (Not Done)<br /> | Christopher Sewell (Not Done)<br /> | Chen Chen ( Not Done)<br /> |- <br /> | Aiswarya Prabha (Not Done)<br /> |Ziyun Zhang (Done)<br /> |Richard Fogarty (Not Done)<br /> |Julie Schmauck ( Not Done )<br /> |<br /> |-<br /> |-)<br /> |}<br /> <br /> &lt;table border=&quot;1&quot; cellpadding=&quot;5&quot; width=&quot;1190&quot;&gt;<br /> &lt;tr bgcolor=&quot;#66CCFF&quot;&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Mon&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Tues&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Wed&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Thur&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Fri&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Sat&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Sun&lt;/th&gt;<br /> &lt;/tr&gt;<br /> <br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;&lt;span style=&quot;color:white&quot;&gt;'''1st June'''&lt;/span&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;2nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;3rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;4th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;5th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;6th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;7th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;8th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;9th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;10th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;11th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;12th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;13th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;14th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;15th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;16th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;17th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;18th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;19th&lt;br&gt;Bryan Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;20th&lt;br&gt;Bryan Away&lt;br&gt;Gabriel Away (Boulder Conference)&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;21st&lt;br&gt;Bryan Away&lt;br&gt;Gabriel Away (Boulder Conference)&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;22nd&lt;br&gt;Bryan Away&lt;br&gt;Gabriel Away (Boulder Conference)&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;23rd&lt;br&gt;Bryan Away&lt;br&gt;Gabriel Away (Boulder Conference)&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;24th&lt;br&gt;Bryan Away&lt;br&gt;Gabriel Away (Boulder Conference)&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;25th&lt;br&gt;Bryan Away&lt;br&gt;Richard F Exp&lt;br&gt;Gabriel Away (Boulder Conference)&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;26th&lt;br&gt;Bryan Away&lt;br&gt;Gabriel Away (Boulder Conference)&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;27th&lt;br&gt;Bryan Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;28th&lt;br&gt;Bryan Away&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td &gt;29th&lt;br&gt;Bryan Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;30th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;&lt;span style=&quot;color:white&quot;&gt;'''1st July'''&lt;/span&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;2nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;3rd&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;4th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;5th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td &gt;6th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;7th&lt;br&gt;Richard F Exp&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;8th&lt;br&gt;Richard F Exp&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;9th&lt;br&gt;Richard F Exp&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;10th&lt;br&gt;Richard F Exp&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;11th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;12th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;13th&lt;br&gt;Richard F Away&lt;/td&gt;<br /> &lt;td&gt;14th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;15th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;16th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;17th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;18th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;19th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;20th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;21st&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;22nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;23rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;24th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;25th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;26th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;27th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;28th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;29th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;30th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;31st&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;&lt;span style=&quot;color:white&quot;&gt;'''1st August'''&lt;/span&gt;&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;2nd&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;3rd&lt;br&gt;Tricia Away&lt;br&gt;Richard F Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;4th&lt;br&gt;Tricia Away&lt;br&gt;Richard F Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;5th&lt;br&gt;Tricia Away&lt;br&gt;Richard F Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;6th&lt;br&gt;Tricia Away&lt;br&gt;Richard F Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;7th&lt;br&gt;Tricia Away&lt;br&gt;Richard F Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;8th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;9th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;10th&lt;br&gt;Tricia Away&lt;br&gt;Richard F Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;11th&lt;br&gt;Tricia Away&lt;br&gt;Richard F Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;12th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;13th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;14th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;15th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;16th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;17th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;18th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;19th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;20th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;21st&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;22nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;23rd&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;24th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;25th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;26th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;27th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;28th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;29th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;30th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;31st&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;&lt;span style=&quot;color:white&quot;&gt;'''1st September'''&lt;/span&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;2nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;3rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;4th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;5th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;6th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;7th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;8th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;9th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;10th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;11th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;12th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;13th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;14th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;15th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;16th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;17th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;18th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;19th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;20th&lt;br&gt;Tricia Away&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;21st&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;22nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;23rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;24th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;25th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;26th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;27th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;28th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;29th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;30th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;&lt;span style=&quot;color:white&quot;&gt;'''1st October'''&lt;/span&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;2nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;3rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;4th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;/table&gt;</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/calendar&diff=474401 2014-12-16T13:43:34Z

<p>Gvl07: /* Calendar */</p> <hr /> <div>Back to the main [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group wiki-page]<br /> == Calendar ==<br /> <br /> {| class=&quot;wikitable&quot;<br /> |- <br /> ! 1 <br /> ! 2 <br /> ! 3 <br /> ! 4<br /> |-<br /> | Tricia (Done) <br /> | Matthew Clough (Not Done)<br /> | Bryan Ward (Done)<br /> | Claire Ashworth (Done)<br /> |- <br /> | Precious Ugbomah (Done)<br /> | Richard Matthews (Done)<br /> | Vincent Chen (Done)<br /> | Gabriel Lau (Done)<br /> |- <br /> | Rebecca Rowe (Not Done)<br /> | Patricia Ho (Done)<br /> | Ken Watson (Done)<br /> | Laila Bana (Done)<br /> |- <br /> | Oliver Benton (Not Done)<br /> |Christopher Sewell (Not Done)<br /> |Chen Chen (Not Done)<br /> |Aiswarya Prabha (Done)<br /> |-<br /> |-)<br /> |}<br /> <br /> &lt;table border=&quot;1&quot; cellpadding=&quot;5&quot; width=&quot;1190&quot;&gt;<br /> &lt;tr bgcolor=&quot;#66CCFF&quot;&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Mon&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Tues&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Wed&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Thur&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Fri&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot; bgcolor=&quot;#CCCCCC&quot;&gt;Sat&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot; bgcolor=&quot;#CCCCCC&quot;&gt;Sun&lt;/th&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;&lt;span style=&quot;color:white&quot;&gt;'''1st December'''&lt;/span&gt;&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;2nd&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;3rd&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;4th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;5th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;6th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;7th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;8th&lt;br&gt;Richard F Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;9th&lt;br&gt;Richard F Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;10th&lt;br&gt;Richard F Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;11th&lt;br&gt;Richard F Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;12th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;13th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;14th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;15th&lt;br&gt;Richard M Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;16th&lt;br&gt;Richard F Away&lt;br&gt;Richard M Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;17th&lt;br&gt;Richard F Away&lt;br&gt;Richard M Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;18th&lt;br&gt;&lt;br&gt;Richard M Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#FFFF00&quot;&gt;19th&lt;br&gt;'''END OF TERM'''&lt;br&gt;Bryan Away&lt;br&gt;Precious Away&lt;br&gt;Richard M Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;20th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;21st&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;22nd&lt;br&gt;Tricia Away&lt;br&gt;Ken Away&lt;br&gt;Bryan Away&lt;br&gt;Precious Away&lt;br&gt;Richard M Away&lt;br&gt;Aiswarya Away&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;23rd&lt;br&gt;Tricia Away&lt;br&gt;Ken Away&lt;br&gt;Claire Away&lt;br&gt;Precious Away&lt;br&gt;Richard M Away&lt;br&gt;Aiswarya Away&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;24th&lt;br&gt;'''College closed'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;25th&lt;br&gt;'''College closed'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;26th&lt;br&gt;'''College closed'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;27th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;28th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;29th&lt;br&gt;'''College closed'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;30th&lt;br&gt;'''College closed'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;31st&lt;br&gt;'''College closed'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;&lt;span style=&quot;color:white&quot;&gt;'''1st January 2015'''&lt;/span&gt;&lt;br&gt;'''College closed'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;2nd&lt;br&gt;'''College closed'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;3rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;4th&lt;br&gt;&lt;/td&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;5th&lt;br&gt;Precious Away&lt;br&gt;Aiswarya Away&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;6th&lt;br&gt;Aiswarya Away&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;7th&lt;br&gt;Aiswarya Away&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;8th&lt;br&gt;Aiswarya Away&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;9th&lt;br&gt;Aiswarya Away&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;10th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;11th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#FFFF00&quot;&gt;12th&lt;br&gt;'''NEW TERM'''&lt;br&gt;Aiswarya Away (P)&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;13th&lt;br&gt;Aiswarya Away (P)&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;14th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;15th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;16th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;17th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;18th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;19th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;20th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;21st&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;22nd&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;23rd&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;24th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;25th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;26th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;27th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;28th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;29th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;30th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;31st&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;&lt;span style=&quot;color:white&quot;&gt;'''1st February 2015'''&lt;/span&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;/table&gt;</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/calendar&diff=474397 2014-12-16T13:43:08Z

<p>Gvl07: </p> <hr /> <div>Back to the main [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group wiki-page]<br /> == Calendar ==<br /> <br /> {| class=&quot;wikitable&quot;<br /> |- <br /> ! 1 <br /> ! 2 <br /> ! 3 <br /> ! 4<br /> |-<br /> | Tricia (Done) <br /> | Matthew Clough (Not Done)<br /> | Bryan Ward (Done)<br /> | Claire Ashworth (Done)<br /> |- <br /> | Precious Ugbomah (Done)<br /> | Richard Matthews (Done)<br /> | Vincent Chen (Done)<br /> | Gabriel Lau (Done)<br /> |- <br /> | Rebecca Rowe (Not Done)<br /> | Patricia Ho (Done)<br /> | Ken Watson (Done)<br /> | Laila Bana (Done)<br /> |- <br /> | Oliver Benton (Not Done)<br /> |Christopher Sewell (Not Done)<br /> |Chen Chen (Not Done)<br /> |Aiswarya Prabha (Done)<br /> |-<br /> |-)<br /> |}<br /> <br /> &lt;table border=&quot;1&quot; cellpadding=&quot;5&quot; width=&quot;1190&quot;&gt;<br /> &lt;tr bgcolor=&quot;#66CCFF&quot;&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Mon&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Tues&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Wed&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Thur&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Fri&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot; bgcolor=&quot;#CCCCCC&quot;&gt;Sat&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot; bgcolor=&quot;#CCCCCC&quot;&gt;Sun&lt;/th&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;&lt;span style=&quot;color:white&quot;&gt;'''1st December'''&lt;/span&gt;&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;2nd&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;3rd&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;4th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;5th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;6th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;7th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;8th&lt;br&gt;Richard F Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;9th&lt;br&gt;Richard F Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;10th&lt;br&gt;Richard F Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;11th&lt;br&gt;Richard F Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;12th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;13th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;14th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;15th&lt;br&gt;Richard M Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;16th&lt;br&gt;Richard F Away&lt;br&gt;Richard M Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;17th&lt;br&gt;Richard F Away&lt;br&gt;Richard M Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;18th&lt;br&gt;&lt;br&gt;Richard M Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#FFFF00&quot;&gt;19th&lt;br&gt;'''END OF TERM'''&lt;br&gt;Bryan Away&lt;br&gt;Precious Away&lt;br&gt;Richard M Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;20th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;21st&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;22nd&lt;br&gt;Tricia Away&lt;br&gt;Ken Away&lt;br&gt;Bryan Away&lt;br&gt;Precious Away&lt;br&gt;Richard M Away&lt;br&gt;Aiswarya Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;23rd&lt;br&gt;Tricia Away&lt;br&gt;Ken Away&lt;br&gt;Claire Away&lt;br&gt;Precious Away&lt;br&gt;Richard M Away&lt;br&gt;Aiswarya Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;24th&lt;br&gt;'''College closed'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;25th&lt;br&gt;'''College closed'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;26th&lt;br&gt;'''College closed'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;27th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;28th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;29th&lt;br&gt;'''College closed'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;30th&lt;br&gt;'''College closed'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;31st&lt;br&gt;'''College closed'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;&lt;span style=&quot;color:white&quot;&gt;'''1st January 2015'''&lt;/span&gt;&lt;br&gt;'''College closed'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#33CC99&quot;&gt;2nd&lt;br&gt;'''College closed'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;3rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;4th&lt;br&gt;&lt;/td&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;5th&lt;br&gt;Precious Away&lt;br&gt;Aiswarya Away&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;6th&lt;br&gt;Aiswarya Away&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;7th&lt;br&gt;Aiswarya Away&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;8th&lt;br&gt;Aiswarya Away&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;9th&lt;br&gt;Aiswarya Away&lt;br&gt;Gabriel Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;10th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;11th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#FFFF00&quot;&gt;12th&lt;br&gt;'''NEW TERM'''&lt;br&gt;Aiswarya Away (P)&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;13th&lt;br&gt;Aiswarya Away (P)&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;14th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;15th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;16th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;17th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;18th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;19th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;20th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;21st&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;22nd&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;23rd&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;24th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;25th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;26th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;27th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;28th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;29th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;30th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;31st&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;&lt;span style=&quot;color:white&quot;&gt;'''1st February 2015'''&lt;/span&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;/table&gt;</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/calendar&diff=442191 2014-06-12T06:54:13Z

<p>Gvl07: /* Calendar */</p> <hr /> <div>== Calendar ==<br /> <br /> *Tricia (Not Done)<br /> *Abdihakim Hassan (Not Done)<br /> *Bryan Ward (Not Done)<br /> *Claire Ashworth (Not Done)<br /> *Matthew Clough (Not Done)<br /> *Precious Ugbomah (Not Done)<br /> *Richard Matthews (Not Done) <br /> *Vincent Chen (Not Done)<br /> *Gabriel Lau (Not Done)<br /> *Rebecca Rowe (Not Done)<br /> *Patricia Ho (Done)<br /> *Giacomo Damilano (Not Done)<br /> *Richard Fogarty (Not Done)<br /> <br /> <br /> <br /> &lt;table border=&quot;1&quot; cellpadding=&quot;5&quot; width=&quot;1190&quot;&gt;<br /> &lt;tr bgcolor=&quot;#66CCFF&quot;&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Mon&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Tues&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Wed&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Thur&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Fri&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot; bgcolor=&quot;#CCCCCC&quot;&gt;Sat&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot; bgcolor=&quot;#CCCCCC&quot;&gt;Sun&lt;/th&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#339933&quot;&gt;21st&lt;br&gt;'''College Closed'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#339933&quot; &gt;22nd&lt;br&gt;'''College Closed'''&lt;/td&gt;<br /> &lt;td&gt;23rd&lt;br&gt; Tricia away&lt;br&gt;Richard away&lt;br&gt;Precious away &lt;br&gt;Giacomo away &lt;br&gt;Gabriel away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;24th&lt;br&gt;Richard away&lt;br&gt;Giacomo away &lt;br&gt;Gabriel away&lt;br&gt;Precious away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;25th&lt;br&gt;Richard away&lt;br&gt;Giacomo away&lt;br&gt;Precious away&lt;br&gt;Gabriel away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#FFA500&quot;&gt;26th&lt;br&gt;'''Start of term'''&lt;br&gt;Giacomo away &lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;27th&lt;br&gt;&lt;br&gt;Giacomo away &lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;28th&lt;br&gt;Giacomo away &lt;br&gt;&lt;/td&gt;<br /> &lt;td &gt;29th&lt;br&gt;'''(Vincent &amp; Gabriel)'''&lt;/td&gt;<br /> &lt;td&gt;30th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;1st May&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;2nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;3rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;4th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#339933&quot;&gt;5th&lt;br&gt;'''College Closed'''&lt;br&gt;'''Bank holiday'''&lt;/td&gt;<br /> &lt;td &gt;6th&lt;br&gt;'''(Kevin)'''&lt;/td&gt;<br /> &lt;td&gt;7th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;8th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;9th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;10th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;11th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td &gt;12th&lt;br&gt;&lt;/td&gt;<br /> &lt;td &gt;13th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;14th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;15th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;16th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;17th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;18th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td &gt;19th&lt;br&gt;Careers course - Vincent, Gabriel&lt;/td&gt;<br /> &lt;td &gt;20th&lt;br&gt;Careers course - Vincent, Gabriel&lt;/td&gt;<br /> &lt;td&gt;21st&lt;br&gt;Careers course - Vincent, Gabriel&lt;/td&gt;<br /> &lt;td&gt;22nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;23rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;24th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;25th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#339933&quot;&gt;26th&lt;br&gt;'''College closed'''&lt;br&gt;'''Bank holiday'''&lt;/td&gt;<br /> &lt;td &gt;27th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;28th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;29th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;30th&lt;br&gt;(Giacomo Away)&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;31st&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;1st June&lt;br&gt;(Giacomo Away)&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;2nd&lt;br&gt;(Giacomo Away)&lt;/td&gt;<br /> &lt;td&gt;3rd&lt;br&gt;'''(Richard F - paper)'''&lt;br&gt;(Giacomo Away)&lt;/td&gt;<br /> &lt;td&gt;4th&lt;br&gt;CECAM workshop &lt;br&gt; Claire away &lt;br&gt;(Giacomo Away)&lt;br&gt;(Patricia away)&lt;/td&gt;<br /> &lt;td&gt;5th&lt;br&gt;CECAM workshop &lt;br&gt; Claire away &lt;br&gt;(Patricia away)&lt;br&gt;(Giacomo Away)&lt;br&gt;(Richard F away)&lt;/td&gt;<br /> &lt;td&gt;6th&lt;br&gt;CECAM workshop &lt;br&gt; Claire away &lt;br&gt;(Patricia away)&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;7th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;8th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;9th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;10th&lt;br&gt;'''(Matt - paper)'''&lt;/td&gt;<br /> &lt;td&gt;11th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;12th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;13th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;14th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;15th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;16th&lt;br&gt;LIBLICE conference-Gabriel &lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;17th&lt;br&gt;'''(Hakim-presentation practice)'''&lt;br&gt;LIBLICE conference-Gabriel &lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;18th&lt;br&gt;LIBLICE conference-Gabriel &lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;19th&lt;br&gt;'''(Talk practice)'''&lt;br&gt;LIBLICE conference-Gabriel &lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;20th&lt;br&gt;LIBLICE conference-Gabriel &lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;21st&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;22nd&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;23rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;24th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;25th&lt;br&gt;'''(Talk practice)'''&lt;/td&gt;<br /> &lt;td&gt;26th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#FFA500&quot;&gt;27th&lt;br&gt;'''End of term'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;28th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;29th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;30th&lt;br&gt;(Richard F away)&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot; &gt;1st July&lt;br&gt;{{fontcolor|#FFD700|'''PhD Symposium (Chem.)'''}}&lt;br&gt;(Richard F away)&lt;/td&gt;<br /> &lt;td&gt;2nd&lt;br&gt;(Richard F away)&lt;/td&gt;<br /> &lt;td&gt;3rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;4th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;5th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;6th&lt;br&gt;EUCHEM-Richard &amp; Claire&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;7th&lt;br&gt;Bryan Away&lt;br&gt;EUCHEM-Richard&amp;Claire&lt;/td&gt;<br /> &lt;td&gt;8th&lt;br&gt;Bryan Away&lt;br&gt;EUCHEM-Richard &amp; Claire&lt;/td&gt;<br /> &lt;td&gt;9th&lt;br&gt;Bryan Away&lt;br&gt;EUCHEM-Richard &amp; Claire&lt;/td&gt;<br /> &lt;td&gt;10th&lt;br&gt;Bryan Away&lt;br&gt;EUCHEM-Richard &amp; Claire&lt;/td&gt;<br /> &lt;td&gt;11th&lt;br&gt;Bryan Away&lt;br&gt;EUCHEM-Richard &amp; Claire&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;12th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;13th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;14th&lt;br&gt;Bryan Away&lt;br&gt;Richard away&lt;br&gt;Claire away&lt;/td&gt;<br /> &lt;td&gt;15th&lt;br&gt;Bryan Away&lt;br&gt;Richard away&lt;br&gt;Claire away&lt;/td&gt;<br /> &lt;td&gt;16th&lt;br&gt;Bryan Away&lt;br&gt;Richard away&lt;br&gt;Claire away&lt;/td&gt;<br /> &lt;td&gt;17th&lt;br&gt;Bryan Away&lt;br&gt;Richard away&lt;br&gt;Claire away&lt;/td&gt;<br /> &lt;td&gt;18th&lt;br&gt;Bryan Away&lt;br&gt;Richard away&lt;br&gt;Claire away&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;19th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;20th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;21st&lt;br&gt;Liquid Matter-Gabriel&lt;/td&gt;<br /> &lt;td&gt;22nd&lt;br&gt;Liquid Matter-Gabriel&lt;/td&gt;<br /> &lt;td&gt;23rd&lt;br&gt;Gaussian workshop - Claire &amp; Bryan &lt;br&gt; Liquid Matter-Gabriel&lt;/td&gt;<br /> &lt;td&gt;24th&lt;br&gt;Gaussian workshop - Claire &amp; Bryan &lt;br&gt; Liquid Matter-Gabriel &lt;/td&gt;<br /> &lt;td&gt;25th&lt;br&gt;Liquid Matter-Gabriel &lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;26th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;27th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;28th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;29th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;30th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;31st&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;1st August&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;2nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;3rd&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;4th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;5th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;6th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;7th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;8th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;9th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;10th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;11th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;12th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;13th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;14th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;15th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;16th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;17th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;18th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;19th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;20th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;21st&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;22nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;23rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;24th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#339933&quot;&gt;25th&lt;br&gt;'''College closed'''&lt;br&gt;'''Bank holiday'''&lt;/td&gt;<br /> &lt;td&gt;26th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;27th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;28th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;39th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;30th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;31st&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;1st September&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;2nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;3rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;4th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;5th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;6th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;7th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;8th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;9th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;10th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;11th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;12th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;13th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;14th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;15th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;16th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;17th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;18th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;19th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;20th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;21st&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;22nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;23rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;24th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;25th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;26th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;27th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;28th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;29th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;30th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;1st October&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;/table&gt;</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/calendar&diff=442190 2014-06-12T06:51:11Z

<p>Gvl07: </p> <hr /> <div>== Calendar ==<br /> <br /> *Tricia (Not Done)<br /> *Abdihakim Hassan (Not Done)<br /> *Bryan Ward (Not Done)<br /> *Claire Ashworth (Not Done)<br /> *Matthew Clough (Not Done)<br /> *Precious Ugbomah (Not Done)<br /> *Richard Matthews (Not Done) <br /> *Vincent Chen (Not Done)<br /> *Gabriel Lau (Not Done)<br /> *Rebecca Rowe (Not Done)<br /> *Patricia Ho (Done)<br /> *Giacomo Damilano (Not Done)<br /> *Richard Fogarty (Not Done)<br /> <br /> <br /> <br /> &lt;table border=&quot;1&quot; cellpadding=&quot;5&quot; width=&quot;1190&quot;&gt;<br /> &lt;tr bgcolor=&quot;#66CCFF&quot;&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Mon&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Tues&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Wed&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Thur&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Fri&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot; bgcolor=&quot;#CCCCCC&quot;&gt;Sat&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot; bgcolor=&quot;#CCCCCC&quot;&gt;Sun&lt;/th&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#339933&quot;&gt;21st&lt;br&gt;'''College Closed'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#339933&quot; &gt;22nd&lt;br&gt;'''College Closed'''&lt;/td&gt;<br /> &lt;td&gt;23rd&lt;br&gt; Tricia away&lt;br&gt;Richard away&lt;br&gt;Precious away &lt;br&gt;Giacomo away &lt;br&gt;Gabriel away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;24th&lt;br&gt;Richard away&lt;br&gt;Giacomo away &lt;br&gt;Gabriel away&lt;br&gt;Precious away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;25th&lt;br&gt;Richard away&lt;br&gt;Giacomo away&lt;br&gt;Precious away&lt;br&gt;Gabriel away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#FFA500&quot;&gt;26th&lt;br&gt;'''Start of term'''&lt;br&gt;Giacomo away &lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;27th&lt;br&gt;&lt;br&gt;Giacomo away &lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;28th&lt;br&gt;Giacomo away &lt;br&gt;&lt;/td&gt;<br /> &lt;td &gt;29th&lt;br&gt;'''(Vincent &amp; Gabriel)'''&lt;/td&gt;<br /> &lt;td&gt;30th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;1st May&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;2nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;3rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;4th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#339933&quot;&gt;5th&lt;br&gt;'''College Closed'''&lt;br&gt;'''Bank holiday'''&lt;/td&gt;<br /> &lt;td &gt;6th&lt;br&gt;'''(Kevin)'''&lt;/td&gt;<br /> &lt;td&gt;7th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;8th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;9th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;10th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;11th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td &gt;12th&lt;br&gt;&lt;/td&gt;<br /> &lt;td &gt;13th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;14th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;15th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;16th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;17th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;18th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td &gt;19th&lt;br&gt;Careers course - Vincent, Gabriel&lt;/td&gt;<br /> &lt;td &gt;20th&lt;br&gt;Careers course - Vincent, Gabriel&lt;/td&gt;<br /> &lt;td&gt;21st&lt;br&gt;Careers course - Vincent, Gabriel&lt;/td&gt;<br /> &lt;td&gt;22nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;23rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;24th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;25th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#339933&quot;&gt;26th&lt;br&gt;'''College closed'''&lt;br&gt;'''Bank holiday'''&lt;/td&gt;<br /> &lt;td &gt;27th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;28th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;29th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;30th&lt;br&gt;(Giacomo Away)&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;31st&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;1st June&lt;br&gt;(Giacomo Away)&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;2nd&lt;br&gt;(Giacomo Away)&lt;/td&gt;<br /> &lt;td&gt;3rd&lt;br&gt;'''(Richard F - paper)'''&lt;br&gt;(Giacomo Away)&lt;/td&gt;<br /> &lt;td&gt;4th&lt;br&gt;CECAM workshop &lt;br&gt; Claire away &lt;br&gt;(Giacomo Away)&lt;br&gt;(Patricia away)&lt;/td&gt;<br /> &lt;td&gt;5th&lt;br&gt;CECAM workshop &lt;br&gt; Claire away &lt;br&gt;(Patricia away)&lt;br&gt;(Giacomo Away)&lt;br&gt;(Richard F away)&lt;/td&gt;<br /> &lt;td&gt;6th&lt;br&gt;CECAM workshop &lt;br&gt; Claire away &lt;br&gt;(Patricia away)&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;7th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;8th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;9th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;10th&lt;br&gt;'''(Matt - paper)'''&lt;/td&gt;<br /> &lt;td&gt;11th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;12th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;13th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;14th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;15th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;16th&lt;br&gt;LIBLICE conference-Gabriel &lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;17th&lt;br&gt;'''(Hakim-presentation practice)'''&lt;br&gt;LIBLICE conference-Gabriel &lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;18th&lt;br&gt;LIBLICE conference-Gabriel &lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;19th&lt;br&gt;'''(Talk practice)'''&lt;br&gt;LIBLICE conference-Gabriel &lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;20th&lt;br&gt;LIBLICE conference-Gabriel &lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;21st&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;22nd&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;23rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;24th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;25th&lt;br&gt;'''(Talk practice)'''&lt;/td&gt;<br /> &lt;td&gt;26th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#FFA500&quot;&gt;27th&lt;br&gt;'''End of term'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;28th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;29th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;30th&lt;br&gt;(Richard F away)&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot; &gt;1st July&lt;br&gt;{{fontcolor|#FFD700|'''PhD Symposium (Chem.)'''}}&lt;br&gt;(Richard F away)&lt;/td&gt;<br /> &lt;td&gt;2nd&lt;br&gt;(Richard F away)&lt;/td&gt;<br /> &lt;td&gt;3rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;4th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;5th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;6th&lt;br&gt;EUCHEM-Richard &amp; Claire&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;7th&lt;br&gt;Bryan Away&lt;br&gt;EUCHEM-Richard&amp;Claire&lt;/td&gt;<br /> &lt;td&gt;8th&lt;br&gt;Bryan Away&lt;br&gt;EUCHEM-Richard &amp; Claire&lt;/td&gt;<br /> &lt;td&gt;9th&lt;br&gt;Bryan Away&lt;br&gt;EUCHEM-Richard &amp; Claire&lt;/td&gt;<br /> &lt;td&gt;10th&lt;br&gt;Bryan Away&lt;br&gt;EUCHEM-Richard &amp; Claire&lt;/td&gt;<br /> &lt;td&gt;11th&lt;br&gt;Bryan Away&lt;br&gt;EUCHEM-Richard &amp; Claire&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;12th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;13th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;14th&lt;br&gt;Bryan Away&lt;br&gt;Richard away&lt;br&gt;Claire away&lt;/td&gt;<br /> &lt;td&gt;15th&lt;br&gt;Bryan Away&lt;br&gt;Richard away&lt;br&gt;Claire away&lt;/td&gt;<br /> &lt;td&gt;16th&lt;br&gt;Bryan Away&lt;br&gt;Richard away&lt;br&gt;Claire away&lt;/td&gt;<br /> &lt;td&gt;17th&lt;br&gt;Bryan Away&lt;br&gt;Richard away&lt;br&gt;Claire away&lt;/td&gt;<br /> &lt;td&gt;18th&lt;br&gt;Bryan Away&lt;br&gt;Richard away&lt;br&gt;Claire away&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;19th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;20th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;21st&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;22nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;23rd&lt;br&gt;Gaussian workshop - Claire &amp; Bryan&lt;/td&gt;<br /> &lt;td&gt;24th&lt;br&gt;Gaussian workshop - Claire &amp; Bryan&lt;/td&gt;<br /> &lt;td&gt;25th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;26th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;27th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;28th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;29th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;30th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;31st&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;1st August&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;2nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;3rd&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;4th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;5th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;6th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;7th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;8th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;9th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;10th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;11th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;12th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;13th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;14th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;15th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;16th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;17th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;18th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;19th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;20th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;21st&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;22nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;23rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;24th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#339933&quot;&gt;25th&lt;br&gt;'''College closed'''&lt;br&gt;'''Bank holiday'''&lt;/td&gt;<br /> &lt;td&gt;26th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;27th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;28th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;39th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;30th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;31st&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;1st September&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;2nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;3rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;4th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;5th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;6th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;7th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;8th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;9th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;10th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;11th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;12th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;13th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;14th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;15th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;16th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;17th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;18th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;19th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;20th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;21st&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;22nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;23rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;24th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;25th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;26th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;27th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;28th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;29th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;30th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;1st October&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;/table&gt;</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/calendar&diff=442040 2014-04-07T10:43:04Z

<p>Gvl07: </p> <hr /> <div>== Calendar ==<br /> <br /> *Tricia (Done)<br /> *Abdihakim Hassan (Done)<br /> *Bryan Ward (Done)<br /> *Claire Ashworth (Done)<br /> *Matthew Clough (Done)<br /> *Precious Ugbomah (Done)<br /> *Richard Matthews (Done) <br /> *Vincent Chen (Not Done)<br /> *Gabriel Lau (Done)<br /> *Rebecca Rowe (Done)<br /> *Patricia Ho (Not Done)<br /> *Giacomo Damilano (Done)<br /> <br /> <br /> <br /> &lt;table border=&quot;1&quot; cellpadding=&quot;5&quot; width=&quot;1190&quot;&gt;<br /> &lt;tr bgcolor=&quot;#66CCFF&quot;&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Mon&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Tues&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Wed&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Thur&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Fri&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot; bgcolor=&quot;#CCCCCC&quot;&gt;Sat&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot; bgcolor=&quot;#CCCCCC&quot;&gt;Sun&lt;/th&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;1st March&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;2nd&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;3rd&lt;br&gt;Richard away &lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;4th&lt;br&gt;'''(Vincent)'''&lt;br&gt; Richard away &lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;5th&lt;br&gt;Richard away &lt;br&gt;Vincent away &lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;6th&lt;br&gt;Richard away &lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;7th&lt;br&gt;Richard away &lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;8th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;9th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;10th&lt;br&gt;Richard away &lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;11th&lt;br&gt;'''(Becky)'''&lt;br&gt;Richard away &lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;12th&lt;br&gt;Richard away &lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;13th&lt;br&gt;Richard away &lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;14th&lt;br&gt;Richard away &lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;15th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;16th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;17th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;18th&lt;br&gt;'''(Giacomo)'''&lt;br&gt; Richard postdoc workshop&lt;/td&gt;<br /> &lt;td&gt;19th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;20th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;21st&lt;br&gt;Claire away&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;22nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;23rd&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;24th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;25th&lt;br&gt;'''(Patricia)'''&lt;/td&gt;<br /> &lt;td&gt;26th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;27th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#FFA500&quot;&gt;28th&lt;br&gt;'''End of term'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;29th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;30th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;31st&lt;br&gt;Becky away rowing&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;1st April&lt;br&gt;'''(Precious)'''&lt;br&gt; DL_Poly workshop - Claire, Richard&lt;/td&gt;<br /> &lt;td&gt;2nd&lt;br&gt;DL_Poly workshop - Claire, Richard&lt;br&gt; Becky away rowing &lt;/td&gt;<br /> &lt;td&gt;3rd&lt;br&gt;Becky away rowing&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;4th&lt;br&gt;Becky away rowing&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;5th&lt;br&gt;Becky away rowing&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;6th&lt;br&gt;Becky away rowing&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;7th&lt;br&gt;Becky away rowing&lt;br&gt;&lt;/td&gt;<br /> &lt;td &gt;8th&lt;br&gt;'''(Matthew)'''&lt;br&gt;Becky away rowing&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;9th&lt;br&gt;Matthew Away &lt;br&gt;Becky away rowing&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;10th&lt;br&gt;Matthew Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;11th&lt;br&gt;Matthew Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;12th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;13th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;14th&lt;br&gt;Bryan Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td &gt;15th&lt;br&gt;Bryan Away&lt;br&gt;'''(Group activity)'''&lt;/td&gt;<br /> &lt;td&gt;16th&lt;br&gt;Tricia away&lt;br&gt; Giacomo away &lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#339933&quot;&gt;17th&lt;br&gt;'''College Closed'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#339933&quot;&gt;18th&lt;br&gt;'''College Closed'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;19th&lt;br&gt;'''College Closed'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;20th&lt;br&gt;'''College Closed'''&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#339933&quot;&gt;21st&lt;br&gt;'''College Closed'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#339933&quot; &gt;22nd&lt;br&gt;'''College Closed'''&lt;/td&gt;<br /> &lt;td&gt;23rd&lt;br&gt; Tricia away&lt;br&gt;Richard away&lt;br&gt;Precious away &lt;br&gt;Giacomo away &lt;br&gt;Gabriel away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;24th&lt;br&gt;Richard away&lt;br&gt;Giacomo away &lt;br&gt;Gabriel away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;25th&lt;br&gt;Richard away&lt;br&gt;Giacomo away &lt;br&gt;Gabriel away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#FFA500&quot;&gt;26th&lt;br&gt;'''Start of term'''&lt;br&gt;Giacomo away &lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;27th&lt;br&gt;&lt;br&gt;Giacomo away &lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;28th&lt;br&gt;Giacomo away &lt;br&gt;&lt;/td&gt;<br /> &lt;td &gt;29th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;30th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;1st May&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;2nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;3rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;4th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#339933&quot;&gt;5th&lt;br&gt;'''College Closed'''&lt;br&gt;'''Bank holiday'''&lt;/td&gt;<br /> &lt;td &gt;6th&lt;br&gt;'''(Tricia-DFT functionals)'''&lt;/td&gt;<br /> &lt;td&gt;7th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;8th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;9th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;10th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;11th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td &gt;12th&lt;br&gt;&lt;/td&gt;<br /> &lt;td &gt;13th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;14th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;15th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;16th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;17th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;18th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td &gt;19th&lt;br&gt;&lt;/td&gt;<br /> &lt;td &gt;20th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;21st&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;22nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;23rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;24th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;25th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#339933&quot;&gt;26th&lt;br&gt;'''College closed'''&lt;br&gt;'''Bank holiday'''&lt;/td&gt;<br /> &lt;td &gt;27th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;28th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;29th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;30th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;31st&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;1st June&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;2nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;3rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;4th&lt;br&gt;CECAM workshop&lt;/td&gt;<br /> &lt;td&gt;5th&lt;br&gt;CECAM workshop &lt;br&gt; Claire away&lt;/td&gt;<br /> &lt;td&gt;6th&lt;br&gt;CECAM workshop &lt;br&gt; Claire away&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;7th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;8th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;9th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;10th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;11th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;12th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;13th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;14th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;15th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;16th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;17th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;18th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;19th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;20th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;21st&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;22nd&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;23rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;24th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;25th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;26th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#FFA500&quot;&gt;27th&lt;br&gt;'''End of term'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;28th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;29th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;30th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot; &gt;1st July&lt;br&gt;{{fontcolor|#FFD700|'''PhD Symposium (Chem.)'''}}&lt;/td&gt;<br /> &lt;td&gt;2nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;3rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;4th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;5th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;6th&lt;br&gt;EUCHEM&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;7th&lt;br&gt;EUCHEM&lt;/td&gt;<br /> &lt;td&gt;8th&lt;br&gt;EUCHEM&lt;/td&gt;<br /> &lt;td&gt;9th&lt;br&gt;EUCHEM&lt;/td&gt;<br /> &lt;td&gt;10th&lt;br&gt;EUCHEM&lt;/td&gt;<br /> &lt;td&gt;11th&lt;br&gt;EUCHEM&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;12th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;13th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;14th&lt;br&gt;Richard away&lt;/td&gt;<br /> &lt;td&gt;15th&lt;br&gt;Richard away&lt;/td&gt;<br /> &lt;td&gt;16th&lt;br&gt;Richard away&lt;/td&gt;<br /> &lt;td&gt;17th&lt;br&gt;Richard away&lt;/td&gt;<br /> &lt;td&gt;18th&lt;br&gt;Richard away&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;19th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;20th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;21st&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;22nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;23rd&lt;br&gt;Gaussian workshop - Claire&lt;/td&gt;<br /> &lt;td&gt;24th&lt;br&gt;Gaussian workshop - Claire&lt;/td&gt;<br /> &lt;td&gt;25th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;26th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;27th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> <br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;28th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;29th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;30th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;31st&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;1st August&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;2nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;3rd&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;/table&gt;</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/calendar&diff=376660 2013-11-20T14:07:26Z

<p>Gvl07: /* Calendar */</p> <hr /> <div>== Calendar ==<br /> <br /> *Tricia (Not Done)<br /> *Abdihakim Hassan (Not Done)<br /> *Bryan Ward (Done)<br /> *Claire Ashworth (Done)<br /> *Matthew Clough (Not Done)<br /> *Precious Ugbomah (Not Done)<br /> *Richard Matthews (Done) <br /> *Vincent Chen (Not Done)<br /> *Gabriel Lau (Done)<br /> *Rebecca Rowe (Not Done)<br /> *Patricia Ho (Not Done)<br /> *Giacomo Damilano (Not Done)<br /> <br /> <br /> <br /> &lt;table border=&quot;1&quot; cellpadding=&quot;5&quot; width=&quot;1190&quot;&gt;<br /> &lt;tr bgcolor=&quot;#66CCFF&quot;&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Mon&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Tues&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Wed&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Thur&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Fri&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot; bgcolor=&quot;#CCCCCC&quot;&gt;Sat&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot; bgcolor=&quot;#CCCCCC&quot;&gt;Sun&lt;/th&gt;<br /> <br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;28th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;29th&lt;br&gt;'''(Matthew)'''&lt;/td&gt;<br /> &lt;td&gt;30th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;31st&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;1st November&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;2nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;3rd&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;4th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;5th&lt;br&gt;'''(Vincent)'''&lt;/td&gt;<br /> &lt;td&gt;6th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;7th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;8th&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;9th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;10th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;11th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;12th&lt;br&gt;'''(Gabriel)'''&lt;/td&gt;<br /> &lt;td&gt;13th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;14th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;15th&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;16th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;17th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;18th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;19th&lt;br&gt;'''(Hakim)'''&lt;/td&gt;<br /> &lt;td&gt;20th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;21st&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;22nd&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;23rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;24th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;25th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;26th&lt;br&gt;'''(Group Outing)'''&lt;/td&gt;<br /> &lt;td&gt;27th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;28th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;29th&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;30th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;1st December&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;2nd&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;3rd&lt;br&gt;'''(Richard)'''&lt;br&gt;Bryan Away&lt;/td&gt;<br /> &lt;td&gt;4th&lt;br&gt;Bryan Away&lt;/td&gt;<br /> &lt;td&gt;5th&lt;br&gt;Bryan Away&lt;/td&gt;<br /> &lt;td&gt;6th&lt;br&gt;Bryan Away&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;7th&lt;br&gt;Bryan Away&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;8th&lt;br&gt;Bryan Away&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;9th&lt;br&gt;Bryan Away&lt;/td&gt;<br /> &lt;td&gt;10th&lt;br&gt;'''(Becky)'''&lt;br&gt;Bryan Away&lt;/td&gt;<br /> &lt;td&gt;11th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;12th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#FFA500&quot;&gt;13th&lt;br&gt;'''End of term'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;14th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;15th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;16th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;17th&lt;br&gt;'''(CV Workshop)'''&lt;/td&gt;<br /> &lt;td&gt;18th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;19th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;20th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;21st&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;22nd&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#228B22&quot;&gt;23rd&lt;br&gt;'''College closed'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#228B22&quot;&gt;24th&lt;br&gt;'''College closed'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#228B22&quot;&gt;25th&lt;br&gt;'''College closed'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#228B22&quot;&gt;26th&lt;br&gt;'''College closed'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#228B22&quot;&gt;27th&lt;br&gt;'''College closed'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#228B22&quot;&gt;28th&lt;br&gt;'''College closed'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#228B22&quot;&gt;29th&lt;br&gt;'''College closed'''&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#228B22&quot;&gt;30th&lt;br&gt;'''College closed'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#228B22&quot;&gt;31st&lt;br&gt;'''College closed'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;1st January&lt;br&gt;'''College closed'''&lt;/td&gt;<br /> &lt;td&gt;2nd&lt;br&gt;Richard away&lt;br&gt; Claire away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;3rd&lt;br&gt;Richard away&lt;br&gt;Gabriel &amp; Vincent - Science Communication Course&lt;br&gt;Bryan Away&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;4th&lt;br&gt;Gabriel &amp; Vincent - Science Communication Course&lt;br&gt;Bryan Away&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;5th&lt;br&gt;Gabriel &amp; Vincent - Science Communication Course&lt;br&gt;Bryan Away&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;6th&lt;br&gt;Bryan Away&lt;/td&gt;<br /> &lt;td&gt;7th&lt;br&gt;Bryan Away&lt;/td&gt;<br /> &lt;td&gt;8th &lt;br&gt;Bryan Away&lt;/td&gt;<br /> &lt;td&gt;9th&lt;br&gt;Bryan Away&lt;/td&gt;<br /> &lt;td&gt;10th&lt;br&gt;Bryan Away&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#FFA500&quot;&gt;11th&lt;br&gt;'''Start of term'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;12th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;13th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;14th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;15th &lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;16th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;17th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;18th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;18th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;20th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;21st&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;22nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;23rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;24th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;25th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;26th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;/table&gt;</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/calendar&diff=334507 2013-07-23T16:15:36Z

<p>Gvl07: </p> <hr /> <div>== Calendar ==<br /> <br /> *Tricia (Done)<br /> *Abdihakim Hassan (Not Done)<br /> *Bryan Ward (Not Done)<br /> *Claire Ashworth (Not Done)<br /> *Matthew Clough (Done)<br /> *Precious Ugbomah (Done)<br /> *Richard Matthews (Done) <br /> *Vincent Chen (Not Done)<br /> *Gabriel Lau (Done)<br /> *Sarah Smith (Not Done)<br /> <br /> {| class=&quot;wikitable&quot; border=&quot;1&quot; style=&quot;text-align:center&quot;<br /> |+ Theory Group Meetings: 2-3.30pm every other Thursday<br /> !Meeting !! Topic || Name || Date<br /> |-<br /> | &lt;s&gt;1&lt;/s&gt; || &lt;s&gt;Differentiation and Integration&lt;/s&gt; || Matthew || &lt;s&gt;20&lt;sup&gt;th&lt;/sup&gt; June&lt;/s&gt;<br /> |-<br /> | &lt;s&gt;2&lt;/s&gt; || &lt;s&gt;Differential Equations&lt;/s&gt; || Claire || &lt;s&gt;27&lt;sup&gt;th&lt;/sup&gt;&lt;/s&gt; &lt;s&gt;June&lt;/s&gt;<br /> |-<br /> | 3|| Matrix Mechanics ||Gabriel|| 1&lt;sup&gt;st&lt;/sup&gt; August<br /> |-<br /> | 4 || Linear Algebra || Richard || 8&lt;sup&gt;th&lt;/sup&gt; August<br /> |-<br /> | 5 || Perturbation Theory ||Precious &amp; Bryan || 22&lt;sup&gt;nd&lt;/sup&gt; August<br /> |-<br /> | 6 ||Fourier and Laplace Transformations || Vincent || 5&lt;sup&gt;th&lt;/sup&gt; September <br /> |}<br /> <br /> <br /> &lt;table border=&quot;1&quot; cellpadding=&quot;5&quot; width=&quot;1190&quot;&gt;<br /> &lt;tr bgcolor=&quot;#66CCFF&quot;&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Mon&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Tues&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Wed&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Thur&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Fri&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot; bgcolor=&quot;#CCCCCC&quot;&gt;Sat&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot; bgcolor=&quot;#CCCCCC&quot;&gt;Sun&lt;/th&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;1st July&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;2nd&lt;br&gt;&lt;br&gt;&lt;span style=&quot;color:#9400D3&quot;&gt;'''PhD Symposium '''&lt;/span&gt;&lt;/td&gt;<br /> &lt;td&gt;3rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;4th&lt;br&gt; &lt;/td&gt;<br /> &lt;td&gt;5th&lt;br&gt;Bryan Away &lt;br&gt; ChemShell Workshop 10am-4pm&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;6th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;7th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;8th&lt;br&gt; Richard Away &lt;br&gt; Sarah Away &lt;br&gt; Precious Away &lt;br&gt;Bryan Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;9th&lt;br&gt; '''(Vincent)''' &lt;br&gt; Richard Away &lt;br&gt; Sarah Away &lt;br&gt; Matthew Away MSDG &lt;br&gt; Precious Away &lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;10th&lt;br&gt; Richard Away &lt;br&gt; Sarah Away &lt;br&gt; Matthew Away MSDG &lt;br&gt; Precious Away &lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;11th&lt;br&gt; Richard Away &lt;br&gt; Sarah Away &lt;br&gt; Matthew Away MSDG &lt;br&gt; Precious Away &lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;12th&lt;br&gt; Richard Away &lt;br&gt; Sarah Away &lt;br&gt; Precious Away &lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;13th&lt;br&gt; &lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;14th &lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;15th&lt;br&gt;&lt;br&gt; Precious Away &lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;16th&lt;br&gt;'''(Gabriel)'''&lt;br&gt; Precious Away &lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;17th&lt;br&gt;&lt;br&gt; Precious Away &lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;18th&lt;br&gt; &lt;br&gt; Matthew Away &lt;br&gt; Precious Away &lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;19th&lt;br&gt; &lt;br&gt; Matthew Away &lt;br&gt; Precious away &lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;20th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;21st&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;22nd&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;23rd&lt;br&gt;'''(Sarah)'''&lt;/td&gt;<br /> &lt;td&gt;24th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;25th&lt;br&gt; &lt;/td&gt;<br /> &lt;td&gt;26th&lt;br&gt; Matthew Away &lt;br&gt; Gabriel Away &lt;br&gt; Bryan Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;27th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;28th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;29th&lt;br&gt; Matthew Away &lt;br&gt;Gabriel Away &lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;30th&lt;br&gt;'''(Tricia)'''&lt;br&gt;Gabriel Away &lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;31st&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;1st August&lt;br&gt;&lt;span style=&quot;color:#E0218A&quot;&gt; '''Theory Meeting'''&lt;/span&gt;&lt;/td&gt;<br /> &lt;td&gt;2nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;3rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;4th&lt;br&gt;Matthew/Claire-GSC-6&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;5th&lt;br&gt;Tricia away&lt;br&gt;Vincent Away&lt;br&gt;Matthew/Claire-GSC-6&lt;/td&gt;<br /> &lt;td&gt;6th&lt;br&gt;Tricia away&lt;br&gt; Vincent Away&lt;br&gt;Matthew/Claire-GSC-6 &lt;/td&gt;<br /> &lt;td&gt;7th&lt;br&gt;Tricia away&lt;br&gt;Vincent Away&lt;br&gt;Bryan Away&lt;br&gt;Matthew/Claire-GSC-6&lt;/td&gt;<br /> &lt;td&gt;8th&lt;br&gt;&lt;span style=&quot;color:#E0218A&quot;&gt; '''Theory Meeting'''&lt;/span&gt;&lt;br&gt;Tricia away&lt;br&gt;Vincent Away&lt;br&gt;Bryan Away&lt;/td&gt;<br /> &lt;td&gt;9th&lt;br&gt;Tricia away&lt;br&gt;Vincent Away&lt;br&gt;Bryan Away&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;10th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;11th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;12th&lt;br&gt;Tricia away&lt;br&gt;Vincent Away&lt;br&gt;Matthew Away&lt;br&gt;Bryan Away&lt;br&gt;Claire Away&lt;/td&gt;<br /> &lt;td&gt;13th&lt;br&gt;Tricia away&lt;br&gt;Vincent Away&lt;br&gt;Matthew Away&lt;br&gt;Bryan Away&lt;br&gt;Claire Away&lt;/td&gt;<br /> &lt;td&gt;14th&lt;br&gt;Tricia away&lt;br&gt;Vincent Away&lt;br&gt;Matthew Away&lt;br&gt;Bryan Away&lt;/td&gt;<br /> &lt;td&gt;15th&lt;br&gt;Tricia away&lt;br&gt;Vincent Away&lt;br&gt;Matthew Away&lt;br&gt;Bryan Away&lt;/td&gt;<br /> &lt;td&gt;16th&lt;br&gt;Tricia away&lt;br&gt;Vincent Away&lt;br&gt;Matthew Away&lt;br&gt;Bryan Away&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;17th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;18th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;19th&lt;br&gt;Vincent Away&lt;br&gt;Bryan Away&lt;/td&gt;<br /> &lt;td&gt;20th&lt;br&gt;Vincent Away&lt;br&gt;'''(Carlos)'''&lt;/td&gt;<br /> &lt;td&gt;21st&lt;br&gt;Vincent Away&lt;/td&gt;<br /> &lt;td&gt;22nd&lt;br&gt;&lt;span style=&quot;color:#E0218A&quot;&gt; '''Theory Meeting'''&lt;/span&gt;&lt;br&gt;Vincent Away&lt;/td&gt;<br /> &lt;td&gt;23rd&lt;br&gt;Vincent Away&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;24th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;25th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;26th&lt;br&gt;College Closed&lt;br&gt;'''Bank Holiday'''&lt;/td&gt;<br /> &lt;td&gt;27th&lt;br&gt;'''(Richard)'''&lt;/td&gt;<br /> &lt;td&gt;28th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;29th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;30th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;31st&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;1st September&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;2nd&lt;br&gt;Tricia -CPMD 2013&lt;/td&gt;<br /> &lt;td&gt;3rd&lt;br&gt;Tricia -CPMD 2013&lt;br&gt;'''(Hakim)'''&lt;/td&gt;<br /> &lt;td&gt;4th&lt;br&gt;Tricia -CPMD 2013&lt;/td&gt;<br /> &lt;td&gt;5th&lt;br&gt;&lt;span style=&quot;color:#E0218A&quot;&gt; '''Theory Meeting'''&lt;/span&gt;&lt;br&gt;Tricia -CPMD 2013&lt;/td&gt;<br /> &lt;td&gt;6th&lt;br&gt;Tricia -CPMD 2013&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;7th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;8th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;9th&lt;br&gt;Tricia away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;10th&lt;br&gt;Tricia away&lt;br&gt;'''(Bryan)'''&lt;/td&gt;<br /> &lt;td&gt;11th&lt;br&gt;Tricia away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;12th&lt;br&gt;Tricia away&lt;br&gt;Claire-Rio Workshop&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;13th&lt;br&gt;Tricia away&lt;br&gt;Claire-Rio Workshop&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;14th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;15th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;16th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;17th&lt;br&gt;'''(Claire)'''&lt;/td&gt;<br /> &lt;td&gt;18th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;19th&lt;br&gt;&lt;span style=&quot;color:#E0218A&quot;&gt; '''Theory Meeting'''&lt;/span&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;20th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;21st&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;22nd&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;23rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;24th&lt;br&gt;'''(Precious)'''&lt;/td&gt;<br /> &lt;td&gt;25th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;26th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;27th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#FFA500&quot;&gt;28th&lt;br&gt;'''Start of Term'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;29th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;30th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;1st October&lt;br&gt;'''(Matthew)'''&lt;/td&gt;<br /> &lt;td&gt;2nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;3rd&lt;br&gt;&lt;span style=&quot;color:#E0218A&quot;&gt; '''Theory Meeting'''&lt;/span&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;4th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;5th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;6th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;/table&gt;</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/calendar&diff=334506 2013-07-23T16:15:16Z

<p>Gvl07: </p> <hr /> <div>== Calendar ==<br /> <br /> *Tricia (Done)<br /> *Abdihakim Hassan (Not Done)<br /> *Bryan Ward (Not Done)<br /> *Claire Ashworth (Not Done)<br /> *Matthew Clough (Done)<br /> *Precious Ugbomah (Done)<br /> *Richard Matthews (Done) <br /> *Vincent Chen (Not Done)<br /> *Gabriel Lau (Not Done)<br /> *Sarah Smith (Not Done)<br /> <br /> {| class=&quot;wikitable&quot; border=&quot;1&quot; style=&quot;text-align:center&quot;<br /> |+ Theory Group Meetings: 2-3.30pm every other Thursday<br /> !Meeting !! Topic || Name || Date<br /> |-<br /> | &lt;s&gt;1&lt;/s&gt; || &lt;s&gt;Differentiation and Integration&lt;/s&gt; || Matthew || &lt;s&gt;20&lt;sup&gt;th&lt;/sup&gt; June&lt;/s&gt;<br /> |-<br /> | &lt;s&gt;2&lt;/s&gt; || &lt;s&gt;Differential Equations&lt;/s&gt; || Claire || &lt;s&gt;27&lt;sup&gt;th&lt;/sup&gt;&lt;/s&gt; &lt;s&gt;June&lt;/s&gt;<br /> |-<br /> | 3|| Matrix Mechanics ||Gabriel|| 1&lt;sup&gt;st&lt;/sup&gt; August<br /> |-<br /> | 4 || Linear Algebra || Richard || 8&lt;sup&gt;th&lt;/sup&gt; August<br /> |-<br /> | 5 || Perturbation Theory ||Precious &amp; Bryan || 22&lt;sup&gt;nd&lt;/sup&gt; August<br /> |-<br /> | 6 ||Fourier and Laplace Transformations || Vincent || 5&lt;sup&gt;th&lt;/sup&gt; September <br /> |}<br /> <br /> <br /> &lt;table border=&quot;1&quot; cellpadding=&quot;5&quot; width=&quot;1190&quot;&gt;<br /> &lt;tr bgcolor=&quot;#66CCFF&quot;&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Mon&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Tues&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Wed&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Thur&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot;&gt;Fri&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot; bgcolor=&quot;#CCCCCC&quot;&gt;Sat&lt;/th&gt;<br /> &lt;th width=&quot;170px&quot; bgcolor=&quot;#CCCCCC&quot;&gt;Sun&lt;/th&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;1st July&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;2nd&lt;br&gt;&lt;br&gt;&lt;span style=&quot;color:#9400D3&quot;&gt;'''PhD Symposium '''&lt;/span&gt;&lt;/td&gt;<br /> &lt;td&gt;3rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;4th&lt;br&gt; &lt;/td&gt;<br /> &lt;td&gt;5th&lt;br&gt;Bryan Away &lt;br&gt; ChemShell Workshop 10am-4pm&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;6th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;7th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;8th&lt;br&gt; Richard Away &lt;br&gt; Sarah Away &lt;br&gt; Precious Away &lt;br&gt;Bryan Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;9th&lt;br&gt; '''(Vincent)''' &lt;br&gt; Richard Away &lt;br&gt; Sarah Away &lt;br&gt; Matthew Away MSDG &lt;br&gt; Precious Away &lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;10th&lt;br&gt; Richard Away &lt;br&gt; Sarah Away &lt;br&gt; Matthew Away MSDG &lt;br&gt; Precious Away &lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;11th&lt;br&gt; Richard Away &lt;br&gt; Sarah Away &lt;br&gt; Matthew Away MSDG &lt;br&gt; Precious Away &lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;12th&lt;br&gt; Richard Away &lt;br&gt; Sarah Away &lt;br&gt; Precious Away &lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;13th&lt;br&gt; &lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;14th &lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;15th&lt;br&gt;&lt;br&gt; Precious Away &lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;16th&lt;br&gt;'''(Gabriel)'''&lt;br&gt; Precious Away &lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;17th&lt;br&gt;&lt;br&gt; Precious Away &lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;18th&lt;br&gt; &lt;br&gt; Matthew Away &lt;br&gt; Precious Away &lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;19th&lt;br&gt; &lt;br&gt; Matthew Away &lt;br&gt; Precious away &lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;20th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;21st&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;22nd&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;23rd&lt;br&gt;'''(Sarah)'''&lt;/td&gt;<br /> &lt;td&gt;24th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;25th&lt;br&gt; &lt;/td&gt;<br /> &lt;td&gt;26th&lt;br&gt; Matthew Away &lt;br&gt; Gabriel Away &lt;br&gt; Bryan Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;27th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;28th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;29th&lt;br&gt; Matthew Away &lt;br&gt;Gabriel Away &lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;30th&lt;br&gt;'''(Tricia)'''&lt;br&gt;Gabriel Away &lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;31st&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;1st August&lt;br&gt;&lt;span style=&quot;color:#E0218A&quot;&gt; '''Theory Meeting'''&lt;/span&gt;&lt;/td&gt;<br /> &lt;td&gt;2nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;3rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;4th&lt;br&gt;Matthew/Claire-GSC-6&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;5th&lt;br&gt;Tricia away&lt;br&gt;Vincent Away&lt;br&gt;Matthew/Claire-GSC-6&lt;/td&gt;<br /> &lt;td&gt;6th&lt;br&gt;Tricia away&lt;br&gt; Vincent Away&lt;br&gt;Matthew/Claire-GSC-6 &lt;/td&gt;<br /> &lt;td&gt;7th&lt;br&gt;Tricia away&lt;br&gt;Vincent Away&lt;br&gt;Bryan Away&lt;br&gt;Matthew/Claire-GSC-6&lt;/td&gt;<br /> &lt;td&gt;8th&lt;br&gt;&lt;span style=&quot;color:#E0218A&quot;&gt; '''Theory Meeting'''&lt;/span&gt;&lt;br&gt;Tricia away&lt;br&gt;Vincent Away&lt;br&gt;Bryan Away&lt;/td&gt;<br /> &lt;td&gt;9th&lt;br&gt;Tricia away&lt;br&gt;Vincent Away&lt;br&gt;Bryan Away&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;10th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;11th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;12th&lt;br&gt;Tricia away&lt;br&gt;Vincent Away&lt;br&gt;Matthew Away&lt;br&gt;Bryan Away&lt;br&gt;Claire Away&lt;/td&gt;<br /> &lt;td&gt;13th&lt;br&gt;Tricia away&lt;br&gt;Vincent Away&lt;br&gt;Matthew Away&lt;br&gt;Bryan Away&lt;br&gt;Claire Away&lt;/td&gt;<br /> &lt;td&gt;14th&lt;br&gt;Tricia away&lt;br&gt;Vincent Away&lt;br&gt;Matthew Away&lt;br&gt;Bryan Away&lt;/td&gt;<br /> &lt;td&gt;15th&lt;br&gt;Tricia away&lt;br&gt;Vincent Away&lt;br&gt;Matthew Away&lt;br&gt;Bryan Away&lt;/td&gt;<br /> &lt;td&gt;16th&lt;br&gt;Tricia away&lt;br&gt;Vincent Away&lt;br&gt;Matthew Away&lt;br&gt;Bryan Away&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;17th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;18th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;19th&lt;br&gt;Vincent Away&lt;br&gt;Bryan Away&lt;/td&gt;<br /> &lt;td&gt;20th&lt;br&gt;Vincent Away&lt;br&gt;'''(Carlos)'''&lt;/td&gt;<br /> &lt;td&gt;21st&lt;br&gt;Vincent Away&lt;/td&gt;<br /> &lt;td&gt;22nd&lt;br&gt;&lt;span style=&quot;color:#E0218A&quot;&gt; '''Theory Meeting'''&lt;/span&gt;&lt;br&gt;Vincent Away&lt;/td&gt;<br /> &lt;td&gt;23rd&lt;br&gt;Vincent Away&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;24th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;25th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;26th&lt;br&gt;College Closed&lt;br&gt;'''Bank Holiday'''&lt;/td&gt;<br /> &lt;td&gt;27th&lt;br&gt;'''(Richard)'''&lt;/td&gt;<br /> &lt;td&gt;28th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;29th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;30th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;31st&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;1st September&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;2nd&lt;br&gt;Tricia -CPMD 2013&lt;/td&gt;<br /> &lt;td&gt;3rd&lt;br&gt;Tricia -CPMD 2013&lt;br&gt;'''(Hakim)'''&lt;/td&gt;<br /> &lt;td&gt;4th&lt;br&gt;Tricia -CPMD 2013&lt;/td&gt;<br /> &lt;td&gt;5th&lt;br&gt;&lt;span style=&quot;color:#E0218A&quot;&gt; '''Theory Meeting'''&lt;/span&gt;&lt;br&gt;Tricia -CPMD 2013&lt;/td&gt;<br /> &lt;td&gt;6th&lt;br&gt;Tricia -CPMD 2013&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;7th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;8th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;9th&lt;br&gt;Tricia away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;10th&lt;br&gt;Tricia away&lt;br&gt;'''(Bryan)'''&lt;/td&gt;<br /> &lt;td&gt;11th&lt;br&gt;Tricia away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;12th&lt;br&gt;Tricia away&lt;br&gt;Claire-Rio Workshop&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;13th&lt;br&gt;Tricia away&lt;br&gt;Claire-Rio Workshop&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;14th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;15th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;16th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;17th&lt;br&gt;'''(Claire)'''&lt;/td&gt;<br /> &lt;td&gt;18th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;19th&lt;br&gt;&lt;span style=&quot;color:#E0218A&quot;&gt; '''Theory Meeting'''&lt;/span&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;20th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;21st&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;22nd&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;23rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;24th&lt;br&gt;'''(Precious)'''&lt;/td&gt;<br /> &lt;td&gt;25th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;26th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;27th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#FFA500&quot;&gt;28th&lt;br&gt;'''Start of Term'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;29th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;30th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;1st October&lt;br&gt;'''(Matthew)'''&lt;/td&gt;<br /> &lt;td&gt;2nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;3rd&lt;br&gt;&lt;span style=&quot;color:#E0218A&quot;&gt; '''Theory Meeting'''&lt;/span&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;4th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;5th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;6th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;/table&gt;</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/calendar&diff=333844 2013-03-26T10:10:45Z

<p>Gvl07: </p> <hr /> <div>== Calendar ==<br /> <br /> *Tricia (Done)<br /> *Abdihakim Hassan (Done)<br /> *Bryan Ward (Done)<br /> *Claire Ashworth (Done)<br /> *Matthew Clough (Done)<br /> *Dimitrios Katsikadakos (Not Done)<br /> *Ling Ge (Not Done)<br /> *Precious Ugbomah (Done)<br /> *Richard Matthews (Done) <br /> *Vincent Chen (Done)<br /> *Gabriel Lau (Done)<br /> *Sarah Smith (Done)<br /> <br /> {| class=&quot;wikitable&quot; border=&quot;1&quot; style=&quot;text-align:center&quot;<br /> |+ Group Meetings: Tuesday 3pm<br /> ! Week !! Meeting<br /> |-<br /> | 1 || Theory<br /> |-<br /> | 2 || Ionic Liquids: Structure and Reactivity<br /> |-<br /> | 3|| Rio Tinto (Chemistry)<br /> |-<br /> | 4 || Catalysis and Water<br /> |-<br /> | (5) || CAKE TIME! (i.e. social) <br /> |}<br /> <br /> &lt;br/&gt;<br /> &lt;table border=&quot;1&quot; cellpadding=&quot;5&quot;&gt;<br /> &lt;tr bgcolor=&quot;#66CCFF&quot;&gt;<br /> &lt;th width=&quot;115px&quot;&gt;Mon&lt;/th&gt;<br /> &lt;th width=&quot;115px&quot;&gt;Tues&lt;/th&gt;<br /> &lt;th width=&quot;115px&quot;&gt;Wed&lt;/th&gt;<br /> &lt;th width=&quot;115px&quot;&gt;Thur&lt;/th&gt;<br /> &lt;th width=&quot;115px&quot;&gt;Fri&lt;/th&gt;<br /> &lt;th width=&quot;115px&quot; bgcolor=&quot;#CCCCCC&quot;&gt;Sat&lt;/th&gt;<br /> &lt;th width=&quot;115px&quot; bgcolor=&quot;#CCCCCC&quot;&gt;Sun&lt;/th&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;1st February &lt;br&gt;Claire Away&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;2nd &lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;3rd &lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;4th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;5th&lt;br&gt; ''(Theory)''&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;6th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;7th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;8th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;9th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;10th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;11th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;12th&lt;br&gt; ''(ILs)''&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;13th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;14th&lt;br&gt;Matthew Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;15th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;16th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;17th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;18th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;19th&lt;br&gt; ''(Rio)''&lt;/td&gt;<br /> &lt;td&gt;20th&lt;br&gt;Claire working from home&lt;/td&gt;<br /> &lt;td&gt;21st&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;22nd&lt;br&gt; &lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;23rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;24th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;25th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;26th&lt;br&gt; ''(Cat.+H&lt;sub&gt;2&lt;/sub&gt;O)''&lt;br&gt;&lt;/td&gt; <br /> &lt;td&gt;27th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;28th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;1st March&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;2nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;3rd&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td &gt;4th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;5th&lt;br&gt; ''(Theory)''&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;6th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;7th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;8th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;9th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;10th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;11th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;12th&lt;br&gt; ''(ILs)''&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;13th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;14th&lt;br&gt;&lt;br&gt; &lt;/td&gt;<br /> &lt;td&gt;15th&lt;br&gt;&lt;br&gt; &lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;16th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;17th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;18th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;19th&lt;br&gt;''(Rio)''&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;20th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;21st&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#FFCCFF&quot;&gt;22nd&lt;br&gt;End of Spring Term&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;23rd&lt;br&gt; &lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;24th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;&lt;br&gt;25th&lt;/td&gt;<br /> &lt;td&gt;26th&lt;br&gt;''(Cat.+H&lt;sub&gt;2&lt;/sub&gt;O)''&lt;br&gt;Precious away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;27th&lt;br&gt;Precious, Tricia away &lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;28th&lt;br&gt;College Closed&lt;br&gt;Matthew, Sarah away&lt;br&gt;Precious away on a course, Tricia in but not available, Richard working at home&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;29th&lt;br&gt;College Closed&lt;br&gt;'''Good Friday'''&lt;br&gt; Holiday&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;30th&lt;br&gt; College Closed&lt;br&gt; Holiday&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;31st&lt;br&gt; College Closed &lt;br&gt; '''Easter Sunday'''&lt;br&gt;Holiday&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;1st April&lt;br&gt;College Closed&lt;br&gt;'''Easter Monday'''&lt;br&gt;Precious away&lt;br&gt;Matthew, Claire away &lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;2nd&lt;br&gt;College Closed&lt;br&gt;Bryan, Precious, Claire, Matthew, Sarah away &lt;br&gt;Richard, Tricia work from home&lt;/td&gt;<br /> &lt;td&gt;3rd&lt;br&gt;Precious, Tricia working from home&lt;br&gt;Richard, Claire away&lt;/td&gt;<br /> &lt;td&gt;4th&lt;br&gt;Claire, Tricia work from home&lt;/td&gt;<br /> &lt;td&gt;5th&lt;br&gt;Claire working at home &lt;br&gt; Tricia will be in!&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;6th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;7th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> <br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;8th&lt;br&gt;Matthew away on course&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;9th&lt;br&gt;''(ILs)''&lt;/td&gt;<br /> &lt;td&gt;10th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;11th&lt;br&gt; &lt;/td&gt;<br /> &lt;td&gt;12th&lt;br&gt;6 month progress report &lt;span style=&quot;color:red&quot;&gt;'''deadline'''&lt;/span&gt; (Blackboard) &lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;13th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;14th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;15th&lt;br&gt;Vincent away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;16th&lt;br&gt;''(Rio)''&lt;br&gt;Vincent away&lt;/td&gt;<br /> &lt;td&gt;17th&lt;br&gt;Vincent away&lt;/td&gt;<br /> &lt;td&gt;18th&lt;br&gt;Vincent away&lt;/td&gt;<br /> &lt;td&gt;19th&lt;br&gt;Vincent away&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;20th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;21st&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;22nd&lt;br&gt;Vincent away&lt;/td&gt;<br /> &lt;td&gt;23rd&lt;br&gt;''(Cat.+H&lt;sub&gt;2&lt;/sub&gt;O)''&lt;br&gt;Vincent away&lt;/td&gt;<br /> &lt;td&gt;24th&lt;br&gt;Vincent away&lt;/td&gt;<br /> &lt;td&gt;25th&lt;br&gt;Vincent away &lt;/td&gt;<br /> &lt;td&gt;26th&lt;br&gt;Vincent away&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#FFCCFF&quot;&gt;27th&lt;br&gt;Start of Summer Term&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;28th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;29th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;30th&lt;br&gt;''(CAKE)''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;1st May&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;2nd&lt;br&gt;Matthew away&lt;br&gt; &lt;/td&gt;<br /> &lt;td&gt;3rd&lt;br&gt;Matthew away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;4th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;5th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;6th&lt;br&gt;College Closed&lt;br&gt;'''Bank Holiday'''&lt;/td&gt;<br /> &lt;td&gt;7th&lt;br&gt;''(Theory)''&lt;/td&gt;<br /> &lt;td&gt;8th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;9th&lt;br&gt; &lt;/td&gt;<br /> &lt;td&gt;10th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;11th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;12th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;13th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;14th&lt;br&gt;''(ILs)''&lt;/td&gt;<br /> &lt;td&gt;15th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;16th&lt;br&gt; &lt;/td&gt;<br /> &lt;td&gt;17th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;18th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;19th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;20th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;21st&lt;br&gt;''(Rio)''&lt;/td&gt;<br /> &lt;td&gt;22nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;23rd&lt;br&gt; &lt;/td&gt;<br /> &lt;td&gt;24th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;25th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;26th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;27th&lt;br&gt;College Closed&lt;br&gt;'''Bank Holiday'''&lt;/td&gt;<br /> &lt;td&gt;28th&lt;br&gt;''(Cat.+H&lt;sub&gt;2&lt;/sub&gt;O)''&lt;/td&gt;<br /> &lt;td&gt;29th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;30th&lt;br&gt; &lt;/td&gt;<br /> &lt;td&gt;31st&lt;br&gt;2nd Yr PhD Students: &lt;span style=&quot;color:red&quot;&gt;'''deadline'''&lt;/span&gt; for submission of draft poster to Blackboard&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;1st June&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;2nd&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> <br /> &lt;/table&gt;</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/basiconiom&diff=326259 2013-03-06T09:44:01Z

<p>Gvl07: /* Basic ONIOM (Mechanical Embedding) */</p> <hr /> <div>=Basic ONIOM (Mechanical Embedding)=<br /> <br /> 1. Sample ONIOM input file (e.g. toy.com)<br /> %chk=toy.chk<br /> %mem=5800MB<br /> %nprocshared=4<br /> #p opt=(calcfc,quadmacro) oniom(b3lyp/6-31+g(d,p):amber=(softonly,print))<br /> nosymm geom=connectivity<br /> &lt;span style=&quot;color:white&quot;&gt;blank line&lt;/span&gt; <br /> Test Bisulfate and Water<br /> &lt;span style=&quot;color:white&quot;&gt;blank line&lt;/span&gt;<br /> -1 1 -1 1 -1 1<br /> S-S-1.270000 0 0.10284895 0.02757327 0.05534583 H<br /> O-O1--0.640000 0 0.95090502 -1.05075883 -0.81085201 H<br /> O-O2--0.670000 0 -0.51087811 0.82245133 -0.91214172 H<br /> O-O3--0.670000 0 -0.81851250 -0.72427103 0.81164058 H<br /> O-O4--0.670000 0 1.11462042 0.79477780 0.80476499 H<br /> H-H-0.380000 0 0.45941997 -1.72717140 -1.30097755 H<br /> O-OW--0.847600 0 3.31669151 0.92337934 2.20457485 L<br /> H-HW-0.423800 0 2.45080557 0.82778355 1.63296313 L<br /> H-HW-0.423800 0 3.48603341 -0.04930496 2.47598596 L<br /> O-OW--0.847600 0 -0.22954592 2.02696219 2.80161775 L<br /> H-HW-0.423800 0 0.26747515 1.48301390 2.11598828 L<br /> H-HW-0.423800 0 0.28064120 1.84302227 3.63593862 L<br /> O-OW--0.847600 0 -2.29924951 -1.45878390 3.35153800 L<br /> H-HW-0.423800 0 -1.87326212 -1.03609584 2.58030291 L<br /> H-HW-0.423800 0 -2.87613390 -2.25478077 3.00874061 L<br /> O-OW--0.847600 0 -3.54879856 -0.88925095 0.08410237 L<br /> H-HW-0.423800 0 -3.87672866 -0.69332912 -0.88175409 L<br /> H-HW-0.423800 0 -2.59079526 -0.54744474 0.17954089 L<br /> O-OW--0.847600 0 -1.83913482 3.22538749 -0.59342039 L<br /> H-HW-0.423800 0 -1.29220416 2.34165819 -0.77772930 L<br /> H-HW-0.423800 0 -1.87947273 3.40788366 0.38849210 L<br /> O-OW--0.847600 0 -0.28045738 -3.12703664 -2.19490573 L<br /> H-HW-0.423800 0 0.08068071 -4.06820600 -2.35482136 L<br /> H-HW-0.423800 0 -1.31072517 -3.35441273 -2.29980667 L<br /> O-OW--0.847600 0 2.37543122 2.81921989 -1.66804655 L<br /> H-HW-0.423800 0 2.58818235 1.94618777 -1.18868481 L<br /> H-HW-0.423800 0 1.72881114 3.25739501 -1.07832183 L<br /> O-OW--0.847600 0 3.11591669 0.24299129 -1.58116804 L<br /> H-HW-0.423800 0 3.97376898 -0.23507194 -1.37416825 L<br /> H-HW-0.423800 0 2.39885963 -0.35034399 -1.06960474 L<br /> O-OW--0.847600 0 0.40050495 -3.04638717 1.40557679 L<br /> H-HW-0.423800 0 -0.10980106 -2.20999055 1.09766318 L<br /> H-HW-0.423800 0 0.81031776 -3.51765847 0.61371410 L<br /> O-OW--0.847600 0 -1.64745773 0.16003978 -3.18188232 L<br /> H-HW-0.423800 0 -1.23948138 0.44264616 -2.25324594 L<br /> H-HW-0.423800 0 -2.62310947 0.05217754 -2.86863471 L<br /> O-OW--0.847600 0 -5.08755345 1.49182027 1.58924908 L<br /> H-HW-0.423800 0 -5.05718425 0.81983890 2.36514831 L<br /> H-HW-0.423800 0 -5.16185625 0.85085664 0.81364159 L<br /> O-OW--0.847600 0 3.26723407 -4.03836556 -3.02872512 L<br /> H-HW-0.423800 0 4.19147258 -3.56273215 -3.22572177 L<br /> H-HW-0.423800 0 3.33695773 -5.00125243 -3.39061107 L<br /> O-OW--0.847600 0 -2.79617222 4.87207773 -2.64701036 L<br /> H-HW-0.423800 0 -2.38699550 4.19042036 -2.02914219 L<br /> H-HW-0.423800 0 -3.79636283 4.89932137 -2.44654765 L<br /> O-OW--0.847600 0 -3.79136740 -3.16014660 1.88872086 L<br /> H-HW-0.423800 0 -3.82220797 -2.37463058 1.22920675 L<br /> H-HW-0.423800 0 -4.72346956 -3.43258399 2.04504453 L<br /> O-OW--0.847600 0 -0.05332830 5.17293005 -2.62027162 L<br /> H-HW-0.423800 0 -1.04665234 5.08408816 -2.53325120 L<br /> H-HW-0.423800 0 0.26914823 4.46882731 -3.27838147 L<br /> O-OW--0.847600 0 1.96530067 -1.12975711 5.92766806 L<br /> H-HW-0.423800 0 2.13187580 -1.46550141 4.91366037 L<br /> H-HW-0.423800 0 1.03097963 -1.35565533 6.10178085 L<br /> O-OW--0.847600 0 4.87048460 1.41771674 -3.35630932 L<br /> H-HW-0.423800 0 5.43334848 1.87198187 -2.64889583 L<br /> H-HW-0.423800 0 4.02992477 1.02265590 -2.89918480 L<br /> O-OW--0.847600 0 -4.30979537 0.03115515 -2.36039196 L<br /> H-HW-0.423800 0 -4.94228341 0.87811472 -2.46496555 L<br /> H-HW-0.423800 0 -4.78898651 -0.75763020 -2.85020923 L<br /> O-OW--0.847600 0 5.35899322 -3.43204090 0.73861728 L<br /> H-HW-0.423800 0 4.79554562 -4.14684764 1.23026341 L<br /> H-HW-0.423800 0 6.04605274 -3.95498834 0.16323939 L<br /> O-OW--0.847600 0 3.16882416 3.14969257 4.25063400 L<br /> H-HW-0.423800 0 2.95532920 2.57234472 3.43529320 L<br /> H-HW-0.423800 0 3.04584297 4.14266981 3.91376106 L<br /> O-OW--0.847600 0 3.27948080 -5.16714298 1.69901926 L<br /> H-HW-0.423800 0 2.68631024 -4.74505979 0.98631060 L<br /> H-HW-0.423800 0 2.69838845 -5.95107243 2.06043996 L<br /> O-OW--0.847600 0 -1.23607274 2.60022378 -4.28824141 L<br /> H-HW-0.423800 0 -1.36968510 1.68064847 -3.90529225 L<br /> H-HW-0.423800 0 -0.21438016 2.78286215 -4.28590581 L<br /> O-OW--0.847600 0 1.36801994 3.39197449 -4.39578410 L<br /> H-HW-0.423800 0 1.89606292 3.44271062 -3.52170221 L<br /> H-HW-0.423800 0 2.01846091 3.30008448 -5.16935051 L<br /> O-OW--0.847600 0 1.61355606 -2.40592290 -3.98747917 L<br /> H-HW-0.423800 0 0.87336650 -2.63408396 -3.27166558 L<br /> H-HW-0.423800 0 2.40492124 -2.90639136 -3.61971395 L<br /> O-OW--0.847600 0 5.17914692 2.14279412 1.04921962 L<br /> H-HW-0.423800 0 4.51208728 1.55811859 1.69499597 L<br /> H-HW-0.423800 0 4.79453093 3.05702789 1.00916819 L<br /> O-OW--0.847600 0 -4.79851239 -0.03227942 3.70741132 L<br /> H-HW-0.423800 0 -4.73945444 0.27002293 4.68870800 L<br /> H-HW-0.423800 0 -3.90573817 -0.46172618 3.47416608 L<br /> O-OW--0.847600 0 -0.61933272 -2.71855519 5.89241093 L<br /> H-HW-0.423800 0 -0.72454676 -2.98041195 4.95310793 L<br /> H-HW-0.423800 0 -1.50983193 -2.27391277 6.06907574 L<br /> O-OW--0.847600 0 -2.61813265 2.99849925 2.41190720 L<br /> H-HW-0.423800 0 4.19147258 -3.56273215 -3.22572177 L<br /> H-HW-0.423800 0 3.33695773 -5.00125243 -3.39061107 L<br /> O-OW--0.847600 0 -2.79617222 4.87207773 -2.64701036 L<br /> H-HW-0.423800 0 -2.38699550 4.19042036 -2.02914219 L<br /> H-HW-0.423800 0 -3.79636283 4.89932137 -2.44654765 L<br /> O-OW--0.847600 0 -3.79136740 -3.16014660 1.88872086 L<br /> H-HW-0.423800 0 -3.82220797 -2.37463058 1.22920675 L<br /> H-HW-0.423800 0 -4.72346956 -3.43258399 2.04504453 L<br /> O-OW--0.847600 0 -0.05332830 5.17293005 -2.62027162 L<br /> H-HW-0.423800 0 -1.04665234 5.08408816 -2.53325120 L<br /> H-HW-0.423800 0 0.26914823 4.46882731 -3.27838147 L<br /> O-OW--0.847600 0 1.96530067 -1.12975711 5.92766806 L<br /> H-HW-0.423800 0 2.13187580 -1.46550141 4.91366037 L<br /> H-HW-0.423800 0 1.03097963 -1.35565533 6.10178085 L<br /> O-OW--0.847600 0 4.87048460 1.41771674 -3.35630932 L<br /> H-HW-0.423800 0 5.43334848 1.87198187 -2.64889583 L<br /> H-HW-0.423800 0 4.02992477 1.02265590 -2.89918480 L<br /> O-OW--0.847600 0 -4.30979537 0.03115515 -2.36039196 L<br /> H-HW-0.423800 0 -4.94228341 0.87811472 -2.46496555 L<br /> H-HW-0.423800 0 -4.78898651 -0.75763020 -2.85020923 L<br /> O-OW--0.847600 0 5.35899322 -3.43204090 0.73861728 L<br /> H-HW-0.423800 0 4.79554562 -4.14684764 1.23026341 L<br /> H-HW-0.423800 0 6.04605274 -3.95498834 0.16323939 L<br /> O-OW--0.847600 0 3.16882416 3.14969257 4.25063400 L<br /> H-HW-0.423800 0 2.95532920 2.57234472 3.43529320 L<br /> H-HW-0.423800 0 3.04584297 4.14266981 3.91376106 L<br /> O-OW--0.847600 0 3.27948080 -5.16714298 1.69901926 L<br /> H-HW-0.423800 0 2.68631024 -4.74505979 0.98631060 L<br /> H-HW-0.423800 0 2.69838845 -5.95107243 2.06043996 L<br /> O-OW--0.847600 0 -1.23607274 2.60022378 -4.28824141 L<br /> H-HW-0.423800 0 -1.36968510 1.68064847 -3.90529225 L<br /> H-HW-0.423800 0 -0.21438016 2.78286215 -4.28590581 L<br /> O-OW--0.847600 0 1.36801994 3.39197449 -4.39578410 L<br /> H-HW-0.423800 0 1.89606292 3.44271062 -3.52170221 L<br /> H-HW-0.423800 0 2.01846091 3.30008448 -5.16935051 L<br /> O-OW--0.847600 0 1.61355606 -2.40592290 -3.98747917 L<br /> H-HW-0.423800 0 0.87336650 -2.63408396 -3.27166558 L<br /> H-HW-0.423800 0 2.40492124 -2.90639136 -3.61971395 L<br /> O-OW--0.847600 0 5.17914692 2.14279412 1.04921962 L<br /> H-HW-0.423800 0 4.51208728 1.55811859 1.69499597 L<br /> H-HW-0.423800 0 4.79453093 3.05702789 1.00916819 L<br /> O-OW--0.847600 0 -4.79851239 -0.03227942 3.70741132 L<br /> H-HW-0.423800 0 -4.73945444 0.27002293 4.68870800 L<br /> H-HW-0.423800 0 -3.90573817 -0.46172618 3.47416608 L<br /> O-OW--0.847600 0 -0.61933272 -2.71855519 5.89241093 L<br /> H-HW-0.423800 0 -0.72454676 -2.98041195 4.95310793 L<br /> H-HW-0.423800 0 -1.50983193 -2.27391277 6.06907574 L<br /> O-OW--0.847600 0 -2.61813265 2.99849925 2.41190720 L<br /> &lt;span style=&quot;color:white&quot;&gt;blank line&lt;/span&gt;<br /> 1 2 1.0 3 2.0 4 2.0 5 2.0<br /> 2 6 1.0<br /> 3<br /> 4<br /> 5<br /> 6<br /> 7 8 1.0 9 1.0<br /> 8<br /> 9<br /> 10 11 1.0 12 1.0<br /> 11<br /> 12<br /> 13 14 1.0 15 1.0<br /> 14<br /> 15<br /> 16 17 1.0 18 1.0<br /> 17<br /> 18<br /> 19 20 1.0 21 1.0<br /> 20<br /> 21<br /> 22 23 1.0 24 1.0<br /> 23<br /> 24<br /> 25 26 1.0 27 1.0<br /> 26<br /> 27<br /> 28 29 1.0 30 1.0<br /> 29<br /> 30<br /> 31 32 1.0 33 1.0<br /> 32<br /> 33<br /> 34 35 1.0 36 1.0<br /> 35<br /> 36<br /> 37 38 1.0 39 1.0<br /> 38<br /> 39<br /> 40 41 1.0 42 1.0<br /> 41<br /> 42<br /> 43 44 1.0 45 1.0<br /> 44<br /> 45<br /> 46 47 1.0 48 1.0<br /> 47<br /> 48<br /> 49 50 1.0 51 1.0<br /> 50<br /> 51<br /> 52 53 1.0 54 1.0<br /> 53<br /> 54<br /> 55 56 1.0 57 1.0<br /> 56<br /> 57<br /> 58 59 1.0 60 1.0<br /> 59<br /> 60<br /> 61 62 1.0 63 1.0<br /> 62<br /> 63<br /> 64 65 1.0 66 1.0<br /> 65<br /> 66<br /> 67 68 1.0 69 1.0<br /> 68<br /> 69<br /> 70 71 1.0 72 1.0<br /> 71<br /> 72<br /> 73 74 1.0 75 1.0<br /> 74<br /> 75<br /> 76 77 1.0 78 1.0<br /> 77<br /> 78<br /> 79 80 1.0 81 1.0<br /> 80<br /> 81<br /> 82 83 1.0 84 1.0<br /> 83<br /> 84<br /> 85 86 1.0 87 1.0<br /> 86<br /> 87<br /> 88 89 1.0 90 1.0<br /> 89<br /> 90<br /> 91 92 1.0 93 1.0<br /> 92<br /> 93<br /> 94 95 1.0 96 1.0<br /> 95<br /> 96<br /> 97 98 1.0 99 1.0<br /> 98<br /> 99<br /> 100 101 1.0 102 1.0<br /> 101<br /> 102<br /> 103 104 1.0 105 1.0<br /> 104<br /> 105<br /> 106 107 1.0 108 1.0<br /> 107<br /> 108<br /> 109 110 1.0 111 1.0<br /> 110<br /> 111<br /> 112 113 1.0 114 1.0<br /> 113<br /> 114<br /> 115 116 1.0 117 1.0<br /> 116<br /> 117<br /> 118 119 1.0 120 1.0<br /> 119<br /> 120<br /> 121 122 1.0 123 1.0<br /> 122<br /> 123<br /> 124 125 1.0 126 1.0<br /> 125<br /> 126<br /> 127 128 1.0 129 1.0<br /> 128<br /> 129<br /> &lt;span style=&quot;color:white&quot;&gt;blank line&lt;/span&gt;<br /> VDW OW 1.7769 0.1554<br /> VDW S 1.9924 0.2500<br /> VDW O1 1.8380 0.2062<br /> VDW O2 1.8380 0.2062<br /> VDW O3 1.8380 0.2062<br /> VDW O4 1.8380 0.2062<br /> VDW H 0.0000 0.0000<br /> VDW HW 0.0000 0.0000<br /> NonBon 3 1 0 0 0.0 0.0 0.5 0.0 0.0 -1.0<br /> HrmStr1 S O1 556.477 1.634<br /> HrmStr1 S O2 1252.366 1.438<br /> HrmStr1 S O3 1252.366 1.438<br /> HrmStr1 S O4 1252.366 1.438<br /> HrmStr1 O1 H 1090.129 0.949<br /> HrmStr1 OW HW 1108.570 1.000<br /> HrmBnd1 HW OW HW 91.539 109.40<br /> HrmBnd1 O2 S O3 109.22 114.76<br /> HrmBnd1 O2 S O4 109.22 114.76<br /> HrmBnd1 O3 S O4 109.22 114.76<br /> HrmBnd1 O1 S O2 194.67 103.45<br /> HrmBnd1 O1 S O3 194.67 103.45 <br /> HrmBnd1 O1 S O4 194.67 103.45<br /> HrmBnd1 H O1 S 95.320 106.39<br /> MM2Tors O2 O3 O4 H 0.000000 0.0000000 0.000000<br /> &lt;span style=&quot;color:white&quot;&gt;blank line&lt;/span&gt;<br /> &lt;span style=&quot;color:white&quot;&gt;blank line&lt;/span&gt;</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/basiconiom&diff=326258 2013-03-06T09:43:34Z

<p>Gvl07: /* Basic ONIOM (Mechanical Embedding) */</p> <hr /> <div>=Basic ONIOM (Mechanical Embedding)=<br /> <br /> 1. Sample ONIOM input file (e.g. toy.com)<br /> %chk=toy.chk<br /> %mem=5800MB<br /> %nprocshared=4<br /> #p opt=(calcfc,quadmacro) oniom(b3lyp/6-31+g(d,p):amber=(softonly,print))<br /> nosymm geom=connectivity<br /> &lt;span style=&quot;color:white&quot;&gt;blank line&lt;/span&gt; <br /> Test H2O<br /> &lt;span style=&quot;color:white&quot;&gt;blank line&lt;/span&gt;<br /> -1 1 -1 1 -1 1<br /> S-S-1.270000 0 0.10284895 0.02757327 0.05534583 H<br /> O-O1--0.640000 0 0.95090502 -1.05075883 -0.81085201 H<br /> O-O2--0.670000 0 -0.51087811 0.82245133 -0.91214172 H<br /> O-O3--0.670000 0 -0.81851250 -0.72427103 0.81164058 H<br /> O-O4--0.670000 0 1.11462042 0.79477780 0.80476499 H<br /> H-H-0.380000 0 0.45941997 -1.72717140 -1.30097755 H<br /> O-OW--0.847600 0 3.31669151 0.92337934 2.20457485 L<br /> H-HW-0.423800 0 2.45080557 0.82778355 1.63296313 L<br /> H-HW-0.423800 0 3.48603341 -0.04930496 2.47598596 L<br /> O-OW--0.847600 0 -0.22954592 2.02696219 2.80161775 L<br /> H-HW-0.423800 0 0.26747515 1.48301390 2.11598828 L<br /> H-HW-0.423800 0 0.28064120 1.84302227 3.63593862 L<br /> O-OW--0.847600 0 -2.29924951 -1.45878390 3.35153800 L<br /> H-HW-0.423800 0 -1.87326212 -1.03609584 2.58030291 L<br /> H-HW-0.423800 0 -2.87613390 -2.25478077 3.00874061 L<br /> O-OW--0.847600 0 -3.54879856 -0.88925095 0.08410237 L<br /> H-HW-0.423800 0 -3.87672866 -0.69332912 -0.88175409 L<br /> H-HW-0.423800 0 -2.59079526 -0.54744474 0.17954089 L<br /> O-OW--0.847600 0 -1.83913482 3.22538749 -0.59342039 L<br /> H-HW-0.423800 0 -1.29220416 2.34165819 -0.77772930 L<br /> H-HW-0.423800 0 -1.87947273 3.40788366 0.38849210 L<br /> O-OW--0.847600 0 -0.28045738 -3.12703664 -2.19490573 L<br /> H-HW-0.423800 0 0.08068071 -4.06820600 -2.35482136 L<br /> H-HW-0.423800 0 -1.31072517 -3.35441273 -2.29980667 L<br /> O-OW--0.847600 0 2.37543122 2.81921989 -1.66804655 L<br /> H-HW-0.423800 0 2.58818235 1.94618777 -1.18868481 L<br /> H-HW-0.423800 0 1.72881114 3.25739501 -1.07832183 L<br /> O-OW--0.847600 0 3.11591669 0.24299129 -1.58116804 L<br /> H-HW-0.423800 0 3.97376898 -0.23507194 -1.37416825 L<br /> H-HW-0.423800 0 2.39885963 -0.35034399 -1.06960474 L<br /> O-OW--0.847600 0 0.40050495 -3.04638717 1.40557679 L<br /> H-HW-0.423800 0 -0.10980106 -2.20999055 1.09766318 L<br /> H-HW-0.423800 0 0.81031776 -3.51765847 0.61371410 L<br /> O-OW--0.847600 0 -1.64745773 0.16003978 -3.18188232 L<br /> H-HW-0.423800 0 -1.23948138 0.44264616 -2.25324594 L<br /> H-HW-0.423800 0 -2.62310947 0.05217754 -2.86863471 L<br /> O-OW--0.847600 0 -5.08755345 1.49182027 1.58924908 L<br /> H-HW-0.423800 0 -5.05718425 0.81983890 2.36514831 L<br /> H-HW-0.423800 0 -5.16185625 0.85085664 0.81364159 L<br /> O-OW--0.847600 0 3.26723407 -4.03836556 -3.02872512 L<br /> H-HW-0.423800 0 4.19147258 -3.56273215 -3.22572177 L<br /> H-HW-0.423800 0 3.33695773 -5.00125243 -3.39061107 L<br /> O-OW--0.847600 0 -2.79617222 4.87207773 -2.64701036 L<br /> H-HW-0.423800 0 -2.38699550 4.19042036 -2.02914219 L<br /> H-HW-0.423800 0 -3.79636283 4.89932137 -2.44654765 L<br /> O-OW--0.847600 0 -3.79136740 -3.16014660 1.88872086 L<br /> H-HW-0.423800 0 -3.82220797 -2.37463058 1.22920675 L<br /> H-HW-0.423800 0 -4.72346956 -3.43258399 2.04504453 L<br /> O-OW--0.847600 0 -0.05332830 5.17293005 -2.62027162 L<br /> H-HW-0.423800 0 -1.04665234 5.08408816 -2.53325120 L<br /> H-HW-0.423800 0 0.26914823 4.46882731 -3.27838147 L<br /> O-OW--0.847600 0 1.96530067 -1.12975711 5.92766806 L<br /> H-HW-0.423800 0 2.13187580 -1.46550141 4.91366037 L<br /> H-HW-0.423800 0 1.03097963 -1.35565533 6.10178085 L<br /> O-OW--0.847600 0 4.87048460 1.41771674 -3.35630932 L<br /> H-HW-0.423800 0 5.43334848 1.87198187 -2.64889583 L<br /> H-HW-0.423800 0 4.02992477 1.02265590 -2.89918480 L<br /> O-OW--0.847600 0 -4.30979537 0.03115515 -2.36039196 L<br /> H-HW-0.423800 0 -4.94228341 0.87811472 -2.46496555 L<br /> H-HW-0.423800 0 -4.78898651 -0.75763020 -2.85020923 L<br /> O-OW--0.847600 0 5.35899322 -3.43204090 0.73861728 L<br /> H-HW-0.423800 0 4.79554562 -4.14684764 1.23026341 L<br /> H-HW-0.423800 0 6.04605274 -3.95498834 0.16323939 L<br /> O-OW--0.847600 0 3.16882416 3.14969257 4.25063400 L<br /> H-HW-0.423800 0 2.95532920 2.57234472 3.43529320 L<br /> H-HW-0.423800 0 3.04584297 4.14266981 3.91376106 L<br /> O-OW--0.847600 0 3.27948080 -5.16714298 1.69901926 L<br /> H-HW-0.423800 0 2.68631024 -4.74505979 0.98631060 L<br /> H-HW-0.423800 0 2.69838845 -5.95107243 2.06043996 L<br /> O-OW--0.847600 0 -1.23607274 2.60022378 -4.28824141 L<br /> H-HW-0.423800 0 -1.36968510 1.68064847 -3.90529225 L<br /> H-HW-0.423800 0 -0.21438016 2.78286215 -4.28590581 L<br /> O-OW--0.847600 0 1.36801994 3.39197449 -4.39578410 L<br /> H-HW-0.423800 0 1.89606292 3.44271062 -3.52170221 L<br /> H-HW-0.423800 0 2.01846091 3.30008448 -5.16935051 L<br /> O-OW--0.847600 0 1.61355606 -2.40592290 -3.98747917 L<br /> H-HW-0.423800 0 0.87336650 -2.63408396 -3.27166558 L<br /> H-HW-0.423800 0 2.40492124 -2.90639136 -3.61971395 L<br /> O-OW--0.847600 0 5.17914692 2.14279412 1.04921962 L<br /> H-HW-0.423800 0 4.51208728 1.55811859 1.69499597 L<br /> H-HW-0.423800 0 4.79453093 3.05702789 1.00916819 L<br /> O-OW--0.847600 0 -4.79851239 -0.03227942 3.70741132 L<br /> H-HW-0.423800 0 -4.73945444 0.27002293 4.68870800 L<br /> H-HW-0.423800 0 -3.90573817 -0.46172618 3.47416608 L<br /> O-OW--0.847600 0 -0.61933272 -2.71855519 5.89241093 L<br /> H-HW-0.423800 0 -0.72454676 -2.98041195 4.95310793 L<br /> H-HW-0.423800 0 -1.50983193 -2.27391277 6.06907574 L<br /> O-OW--0.847600 0 -2.61813265 2.99849925 2.41190720 L<br /> H-HW-0.423800 0 4.19147258 -3.56273215 -3.22572177 L<br /> H-HW-0.423800 0 3.33695773 -5.00125243 -3.39061107 L<br /> O-OW--0.847600 0 -2.79617222 4.87207773 -2.64701036 L<br /> H-HW-0.423800 0 -2.38699550 4.19042036 -2.02914219 L<br /> H-HW-0.423800 0 -3.79636283 4.89932137 -2.44654765 L<br /> O-OW--0.847600 0 -3.79136740 -3.16014660 1.88872086 L<br /> H-HW-0.423800 0 -3.82220797 -2.37463058 1.22920675 L<br /> H-HW-0.423800 0 -4.72346956 -3.43258399 2.04504453 L<br /> O-OW--0.847600 0 -0.05332830 5.17293005 -2.62027162 L<br /> H-HW-0.423800 0 -1.04665234 5.08408816 -2.53325120 L<br /> H-HW-0.423800 0 0.26914823 4.46882731 -3.27838147 L<br /> O-OW--0.847600 0 1.96530067 -1.12975711 5.92766806 L<br /> H-HW-0.423800 0 2.13187580 -1.46550141 4.91366037 L<br /> H-HW-0.423800 0 1.03097963 -1.35565533 6.10178085 L<br /> O-OW--0.847600 0 4.87048460 1.41771674 -3.35630932 L<br /> H-HW-0.423800 0 5.43334848 1.87198187 -2.64889583 L<br /> H-HW-0.423800 0 4.02992477 1.02265590 -2.89918480 L<br /> O-OW--0.847600 0 -4.30979537 0.03115515 -2.36039196 L<br /> H-HW-0.423800 0 -4.94228341 0.87811472 -2.46496555 L<br /> H-HW-0.423800 0 -4.78898651 -0.75763020 -2.85020923 L<br /> O-OW--0.847600 0 5.35899322 -3.43204090 0.73861728 L<br /> H-HW-0.423800 0 4.79554562 -4.14684764 1.23026341 L<br /> H-HW-0.423800 0 6.04605274 -3.95498834 0.16323939 L<br /> O-OW--0.847600 0 3.16882416 3.14969257 4.25063400 L<br /> H-HW-0.423800 0 2.95532920 2.57234472 3.43529320 L<br /> H-HW-0.423800 0 3.04584297 4.14266981 3.91376106 L<br /> O-OW--0.847600 0 3.27948080 -5.16714298 1.69901926 L<br /> H-HW-0.423800 0 2.68631024 -4.74505979 0.98631060 L<br /> H-HW-0.423800 0 2.69838845 -5.95107243 2.06043996 L<br /> O-OW--0.847600 0 -1.23607274 2.60022378 -4.28824141 L<br /> H-HW-0.423800 0 -1.36968510 1.68064847 -3.90529225 L<br /> H-HW-0.423800 0 -0.21438016 2.78286215 -4.28590581 L<br /> O-OW--0.847600 0 1.36801994 3.39197449 -4.39578410 L<br /> H-HW-0.423800 0 1.89606292 3.44271062 -3.52170221 L<br /> H-HW-0.423800 0 2.01846091 3.30008448 -5.16935051 L<br /> O-OW--0.847600 0 1.61355606 -2.40592290 -3.98747917 L<br /> H-HW-0.423800 0 0.87336650 -2.63408396 -3.27166558 L<br /> H-HW-0.423800 0 2.40492124 -2.90639136 -3.61971395 L<br /> O-OW--0.847600 0 5.17914692 2.14279412 1.04921962 L<br /> H-HW-0.423800 0 4.51208728 1.55811859 1.69499597 L<br /> H-HW-0.423800 0 4.79453093 3.05702789 1.00916819 L<br /> O-OW--0.847600 0 -4.79851239 -0.03227942 3.70741132 L<br /> H-HW-0.423800 0 -4.73945444 0.27002293 4.68870800 L<br /> H-HW-0.423800 0 -3.90573817 -0.46172618 3.47416608 L<br /> O-OW--0.847600 0 -0.61933272 -2.71855519 5.89241093 L<br /> H-HW-0.423800 0 -0.72454676 -2.98041195 4.95310793 L<br /> H-HW-0.423800 0 -1.50983193 -2.27391277 6.06907574 L<br /> O-OW--0.847600 0 -2.61813265 2.99849925 2.41190720 L<br /> &lt;span style=&quot;color:white&quot;&gt;blank line&lt;/span&gt;<br /> 1 2 1.0 3 2.0 4 2.0 5 2.0<br /> 2 6 1.0<br /> 3<br /> 4<br /> 5<br /> 6<br /> 7 8 1.0 9 1.0<br /> 8<br /> 9<br /> 10 11 1.0 12 1.0<br /> 11<br /> 12<br /> 13 14 1.0 15 1.0<br /> 14<br /> 15<br /> 16 17 1.0 18 1.0<br /> 17<br /> 18<br /> 19 20 1.0 21 1.0<br /> 20<br /> 21<br /> 22 23 1.0 24 1.0<br /> 23<br /> 24<br /> 25 26 1.0 27 1.0<br /> 26<br /> 27<br /> 28 29 1.0 30 1.0<br /> 29<br /> 30<br /> 31 32 1.0 33 1.0<br /> 32<br /> 33<br /> 34 35 1.0 36 1.0<br /> 35<br /> 36<br /> 37 38 1.0 39 1.0<br /> 38<br /> 39<br /> 40 41 1.0 42 1.0<br /> 41<br /> 42<br /> 43 44 1.0 45 1.0<br /> 44<br /> 45<br /> 46 47 1.0 48 1.0<br /> 47<br /> 48<br /> 49 50 1.0 51 1.0<br /> 50<br /> 51<br /> 52 53 1.0 54 1.0<br /> 53<br /> 54<br /> 55 56 1.0 57 1.0<br /> 56<br /> 57<br /> 58 59 1.0 60 1.0<br /> 59<br /> 60<br /> 61 62 1.0 63 1.0<br /> 62<br /> 63<br /> 64 65 1.0 66 1.0<br /> 65<br /> 66<br /> 67 68 1.0 69 1.0<br /> 68<br /> 69<br /> 70 71 1.0 72 1.0<br /> 71<br /> 72<br /> 73 74 1.0 75 1.0<br /> 74<br /> 75<br /> 76 77 1.0 78 1.0<br /> 77<br /> 78<br /> 79 80 1.0 81 1.0<br /> 80<br /> 81<br /> 82 83 1.0 84 1.0<br /> 83<br /> 84<br /> 85 86 1.0 87 1.0<br /> 86<br /> 87<br /> 88 89 1.0 90 1.0<br /> 89<br /> 90<br /> 91 92 1.0 93 1.0<br /> 92<br /> 93<br /> 94 95 1.0 96 1.0<br /> 95<br /> 96<br /> 97 98 1.0 99 1.0<br /> 98<br /> 99<br /> 100 101 1.0 102 1.0<br /> 101<br /> 102<br /> 103 104 1.0 105 1.0<br /> 104<br /> 105<br /> 106 107 1.0 108 1.0<br /> 107<br /> 108<br /> 109 110 1.0 111 1.0<br /> 110<br /> 111<br /> 112 113 1.0 114 1.0<br /> 113<br /> 114<br /> 115 116 1.0 117 1.0<br /> 116<br /> 117<br /> 118 119 1.0 120 1.0<br /> 119<br /> 120<br /> 121 122 1.0 123 1.0<br /> 122<br /> 123<br /> 124 125 1.0 126 1.0<br /> 125<br /> 126<br /> 127 128 1.0 129 1.0<br /> 128<br /> 129<br /> &lt;span style=&quot;color:white&quot;&gt;blank line&lt;/span&gt;<br /> VDW OW 1.7769 0.1554<br /> VDW S 1.9924 0.2500<br /> VDW O1 1.8380 0.2062<br /> VDW O2 1.8380 0.2062<br /> VDW O3 1.8380 0.2062<br /> VDW O4 1.8380 0.2062<br /> VDW H 0.0000 0.0000<br /> VDW HW 0.0000 0.0000<br /> NonBon 3 1 0 0 0.0 0.0 0.5 0.0 0.0 -1.0<br /> HrmStr1 S O1 556.477 1.634<br /> HrmStr1 S O2 1252.366 1.438<br /> HrmStr1 S O3 1252.366 1.438<br /> HrmStr1 S O4 1252.366 1.438<br /> HrmStr1 O1 H 1090.129 0.949<br /> HrmStr1 OW HW 1108.570 1.000<br /> HrmBnd1 HW OW HW 91.539 109.40<br /> HrmBnd1 O2 S O3 109.22 114.76<br /> HrmBnd1 O2 S O4 109.22 114.76<br /> HrmBnd1 O3 S O4 109.22 114.76<br /> HrmBnd1 O1 S O2 194.67 103.45<br /> HrmBnd1 O1 S O3 194.67 103.45 <br /> HrmBnd1 O1 S O4 194.67 103.45<br /> HrmBnd1 H O1 S 95.320 106.39<br /> MM2Tors O2 O3 O4 H 0.000000 0.0000000 0.000000<br /> &lt;span style=&quot;color:white&quot;&gt;blank line&lt;/span&gt;<br /> &lt;span style=&quot;color:white&quot;&gt;blank line&lt;/span&gt;</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/basiconiom&diff=326257 2013-03-06T09:43:04Z

<p>Gvl07: /* Basic ONIOM (Mechanical Embedding) */</p> <hr /> <div>=Basic ONIOM (Mechanical Embedding)=<br /> <br /> 1. Sample ONIOM input file<br /> %chk=toy2.chk<br /> %mem=5800MB<br /> %nprocshared=4<br /> #p opt=(calcfc,quadmacro) oniom(b3lyp/6-31+g(d,p):amber=(softonly,print))<br /> nosymm geom=connectivity<br /> &lt;span style=&quot;color:white&quot;&gt;blank line&lt;/span&gt; <br /> Test H2O<br /> &lt;span style=&quot;color:white&quot;&gt;blank line&lt;/span&gt;<br /> -1 1 -1 1 -1 1<br /> S-S-1.270000 0 0.10284895 0.02757327 0.05534583 H<br /> O-O1--0.640000 0 0.95090502 -1.05075883 -0.81085201 H<br /> O-O2--0.670000 0 -0.51087811 0.82245133 -0.91214172 H<br /> O-O3--0.670000 0 -0.81851250 -0.72427103 0.81164058 H<br /> O-O4--0.670000 0 1.11462042 0.79477780 0.80476499 H<br /> H-H-0.380000 0 0.45941997 -1.72717140 -1.30097755 H<br /> O-OW--0.847600 0 3.31669151 0.92337934 2.20457485 L<br /> H-HW-0.423800 0 2.45080557 0.82778355 1.63296313 L<br /> H-HW-0.423800 0 3.48603341 -0.04930496 2.47598596 L<br /> O-OW--0.847600 0 -0.22954592 2.02696219 2.80161775 L<br /> H-HW-0.423800 0 0.26747515 1.48301390 2.11598828 L<br /> H-HW-0.423800 0 0.28064120 1.84302227 3.63593862 L<br /> O-OW--0.847600 0 -2.29924951 -1.45878390 3.35153800 L<br /> H-HW-0.423800 0 -1.87326212 -1.03609584 2.58030291 L<br /> H-HW-0.423800 0 -2.87613390 -2.25478077 3.00874061 L<br /> O-OW--0.847600 0 -3.54879856 -0.88925095 0.08410237 L<br /> H-HW-0.423800 0 -3.87672866 -0.69332912 -0.88175409 L<br /> H-HW-0.423800 0 -2.59079526 -0.54744474 0.17954089 L<br /> O-OW--0.847600 0 -1.83913482 3.22538749 -0.59342039 L<br /> H-HW-0.423800 0 -1.29220416 2.34165819 -0.77772930 L<br /> H-HW-0.423800 0 -1.87947273 3.40788366 0.38849210 L<br /> O-OW--0.847600 0 -0.28045738 -3.12703664 -2.19490573 L<br /> H-HW-0.423800 0 0.08068071 -4.06820600 -2.35482136 L<br /> H-HW-0.423800 0 -1.31072517 -3.35441273 -2.29980667 L<br /> O-OW--0.847600 0 2.37543122 2.81921989 -1.66804655 L<br /> H-HW-0.423800 0 2.58818235 1.94618777 -1.18868481 L<br /> H-HW-0.423800 0 1.72881114 3.25739501 -1.07832183 L<br /> O-OW--0.847600 0 3.11591669 0.24299129 -1.58116804 L<br /> H-HW-0.423800 0 3.97376898 -0.23507194 -1.37416825 L<br /> H-HW-0.423800 0 2.39885963 -0.35034399 -1.06960474 L<br /> O-OW--0.847600 0 0.40050495 -3.04638717 1.40557679 L<br /> H-HW-0.423800 0 -0.10980106 -2.20999055 1.09766318 L<br /> H-HW-0.423800 0 0.81031776 -3.51765847 0.61371410 L<br /> O-OW--0.847600 0 -1.64745773 0.16003978 -3.18188232 L<br /> H-HW-0.423800 0 -1.23948138 0.44264616 -2.25324594 L<br /> H-HW-0.423800 0 -2.62310947 0.05217754 -2.86863471 L<br /> O-OW--0.847600 0 -5.08755345 1.49182027 1.58924908 L<br /> H-HW-0.423800 0 -5.05718425 0.81983890 2.36514831 L<br /> H-HW-0.423800 0 -5.16185625 0.85085664 0.81364159 L<br /> O-OW--0.847600 0 3.26723407 -4.03836556 -3.02872512 L<br /> H-HW-0.423800 0 4.19147258 -3.56273215 -3.22572177 L<br /> H-HW-0.423800 0 3.33695773 -5.00125243 -3.39061107 L<br /> O-OW--0.847600 0 -2.79617222 4.87207773 -2.64701036 L<br /> H-HW-0.423800 0 -2.38699550 4.19042036 -2.02914219 L<br /> H-HW-0.423800 0 -3.79636283 4.89932137 -2.44654765 L<br /> O-OW--0.847600 0 -3.79136740 -3.16014660 1.88872086 L<br /> H-HW-0.423800 0 -3.82220797 -2.37463058 1.22920675 L<br /> H-HW-0.423800 0 -4.72346956 -3.43258399 2.04504453 L<br /> O-OW--0.847600 0 -0.05332830 5.17293005 -2.62027162 L<br /> H-HW-0.423800 0 -1.04665234 5.08408816 -2.53325120 L<br /> H-HW-0.423800 0 0.26914823 4.46882731 -3.27838147 L<br /> O-OW--0.847600 0 1.96530067 -1.12975711 5.92766806 L<br /> H-HW-0.423800 0 2.13187580 -1.46550141 4.91366037 L<br /> H-HW-0.423800 0 1.03097963 -1.35565533 6.10178085 L<br /> O-OW--0.847600 0 4.87048460 1.41771674 -3.35630932 L<br /> H-HW-0.423800 0 5.43334848 1.87198187 -2.64889583 L<br /> H-HW-0.423800 0 4.02992477 1.02265590 -2.89918480 L<br /> O-OW--0.847600 0 -4.30979537 0.03115515 -2.36039196 L<br /> H-HW-0.423800 0 -4.94228341 0.87811472 -2.46496555 L<br /> H-HW-0.423800 0 -4.78898651 -0.75763020 -2.85020923 L<br /> O-OW--0.847600 0 5.35899322 -3.43204090 0.73861728 L<br /> H-HW-0.423800 0 4.79554562 -4.14684764 1.23026341 L<br /> H-HW-0.423800 0 6.04605274 -3.95498834 0.16323939 L<br /> O-OW--0.847600 0 3.16882416 3.14969257 4.25063400 L<br /> H-HW-0.423800 0 2.95532920 2.57234472 3.43529320 L<br /> H-HW-0.423800 0 3.04584297 4.14266981 3.91376106 L<br /> O-OW--0.847600 0 3.27948080 -5.16714298 1.69901926 L<br /> H-HW-0.423800 0 2.68631024 -4.74505979 0.98631060 L<br /> H-HW-0.423800 0 2.69838845 -5.95107243 2.06043996 L<br /> O-OW--0.847600 0 -1.23607274 2.60022378 -4.28824141 L<br /> H-HW-0.423800 0 -1.36968510 1.68064847 -3.90529225 L<br /> H-HW-0.423800 0 -0.21438016 2.78286215 -4.28590581 L<br /> O-OW--0.847600 0 1.36801994 3.39197449 -4.39578410 L<br /> H-HW-0.423800 0 1.89606292 3.44271062 -3.52170221 L<br /> H-HW-0.423800 0 2.01846091 3.30008448 -5.16935051 L<br /> O-OW--0.847600 0 1.61355606 -2.40592290 -3.98747917 L<br /> H-HW-0.423800 0 0.87336650 -2.63408396 -3.27166558 L<br /> H-HW-0.423800 0 2.40492124 -2.90639136 -3.61971395 L<br /> O-OW--0.847600 0 5.17914692 2.14279412 1.04921962 L<br /> H-HW-0.423800 0 4.51208728 1.55811859 1.69499597 L<br /> H-HW-0.423800 0 4.79453093 3.05702789 1.00916819 L<br /> O-OW--0.847600 0 -4.79851239 -0.03227942 3.70741132 L<br /> H-HW-0.423800 0 -4.73945444 0.27002293 4.68870800 L<br /> H-HW-0.423800 0 -3.90573817 -0.46172618 3.47416608 L<br /> O-OW--0.847600 0 -0.61933272 -2.71855519 5.89241093 L<br /> H-HW-0.423800 0 -0.72454676 -2.98041195 4.95310793 L<br /> H-HW-0.423800 0 -1.50983193 -2.27391277 6.06907574 L<br /> O-OW--0.847600 0 -2.61813265 2.99849925 2.41190720 L<br /> H-HW-0.423800 0 4.19147258 -3.56273215 -3.22572177 L<br /> H-HW-0.423800 0 3.33695773 -5.00125243 -3.39061107 L<br /> O-OW--0.847600 0 -2.79617222 4.87207773 -2.64701036 L<br /> H-HW-0.423800 0 -2.38699550 4.19042036 -2.02914219 L<br /> H-HW-0.423800 0 -3.79636283 4.89932137 -2.44654765 L<br /> O-OW--0.847600 0 -3.79136740 -3.16014660 1.88872086 L<br /> H-HW-0.423800 0 -3.82220797 -2.37463058 1.22920675 L<br /> H-HW-0.423800 0 -4.72346956 -3.43258399 2.04504453 L<br /> O-OW--0.847600 0 -0.05332830 5.17293005 -2.62027162 L<br /> H-HW-0.423800 0 -1.04665234 5.08408816 -2.53325120 L<br /> H-HW-0.423800 0 0.26914823 4.46882731 -3.27838147 L<br /> O-OW--0.847600 0 1.96530067 -1.12975711 5.92766806 L<br /> H-HW-0.423800 0 2.13187580 -1.46550141 4.91366037 L<br /> H-HW-0.423800 0 1.03097963 -1.35565533 6.10178085 L<br /> O-OW--0.847600 0 4.87048460 1.41771674 -3.35630932 L<br /> H-HW-0.423800 0 5.43334848 1.87198187 -2.64889583 L<br /> H-HW-0.423800 0 4.02992477 1.02265590 -2.89918480 L<br /> O-OW--0.847600 0 -4.30979537 0.03115515 -2.36039196 L<br /> H-HW-0.423800 0 -4.94228341 0.87811472 -2.46496555 L<br /> H-HW-0.423800 0 -4.78898651 -0.75763020 -2.85020923 L<br /> O-OW--0.847600 0 5.35899322 -3.43204090 0.73861728 L<br /> H-HW-0.423800 0 4.79554562 -4.14684764 1.23026341 L<br /> H-HW-0.423800 0 6.04605274 -3.95498834 0.16323939 L<br /> O-OW--0.847600 0 3.16882416 3.14969257 4.25063400 L<br /> H-HW-0.423800 0 2.95532920 2.57234472 3.43529320 L<br /> H-HW-0.423800 0 3.04584297 4.14266981 3.91376106 L<br /> O-OW--0.847600 0 3.27948080 -5.16714298 1.69901926 L<br /> H-HW-0.423800 0 2.68631024 -4.74505979 0.98631060 L<br /> H-HW-0.423800 0 2.69838845 -5.95107243 2.06043996 L<br /> O-OW--0.847600 0 -1.23607274 2.60022378 -4.28824141 L<br /> H-HW-0.423800 0 -1.36968510 1.68064847 -3.90529225 L<br /> H-HW-0.423800 0 -0.21438016 2.78286215 -4.28590581 L<br /> O-OW--0.847600 0 1.36801994 3.39197449 -4.39578410 L<br /> H-HW-0.423800 0 1.89606292 3.44271062 -3.52170221 L<br /> H-HW-0.423800 0 2.01846091 3.30008448 -5.16935051 L<br /> O-OW--0.847600 0 1.61355606 -2.40592290 -3.98747917 L<br /> H-HW-0.423800 0 0.87336650 -2.63408396 -3.27166558 L<br /> H-HW-0.423800 0 2.40492124 -2.90639136 -3.61971395 L<br /> O-OW--0.847600 0 5.17914692 2.14279412 1.04921962 L<br /> H-HW-0.423800 0 4.51208728 1.55811859 1.69499597 L<br /> H-HW-0.423800 0 4.79453093 3.05702789 1.00916819 L<br /> O-OW--0.847600 0 -4.79851239 -0.03227942 3.70741132 L<br /> H-HW-0.423800 0 -4.73945444 0.27002293 4.68870800 L<br /> H-HW-0.423800 0 -3.90573817 -0.46172618 3.47416608 L<br /> O-OW--0.847600 0 -0.61933272 -2.71855519 5.89241093 L<br /> H-HW-0.423800 0 -0.72454676 -2.98041195 4.95310793 L<br /> H-HW-0.423800 0 -1.50983193 -2.27391277 6.06907574 L<br /> O-OW--0.847600 0 -2.61813265 2.99849925 2.41190720 L<br /> &lt;span style=&quot;color:white&quot;&gt;blank line&lt;/span&gt;<br /> 1 2 1.0 3 2.0 4 2.0 5 2.0<br /> 2 6 1.0<br /> 3<br /> 4<br /> 5<br /> 6<br /> 7 8 1.0 9 1.0<br /> 8<br /> 9<br /> 10 11 1.0 12 1.0<br /> 11<br /> 12<br /> 13 14 1.0 15 1.0<br /> 14<br /> 15<br /> 16 17 1.0 18 1.0<br /> 17<br /> 18<br /> 19 20 1.0 21 1.0<br /> 20<br /> 21<br /> 22 23 1.0 24 1.0<br /> 23<br /> 24<br /> 25 26 1.0 27 1.0<br /> 26<br /> 27<br /> 28 29 1.0 30 1.0<br /> 29<br /> 30<br /> 31 32 1.0 33 1.0<br /> 32<br /> 33<br /> 34 35 1.0 36 1.0<br /> 35<br /> 36<br /> 37 38 1.0 39 1.0<br /> 38<br /> 39<br /> 40 41 1.0 42 1.0<br /> 41<br /> 42<br /> 43 44 1.0 45 1.0<br /> 44<br /> 45<br /> 46 47 1.0 48 1.0<br /> 47<br /> 48<br /> 49 50 1.0 51 1.0<br /> 50<br /> 51<br /> 52 53 1.0 54 1.0<br /> 53<br /> 54<br /> 55 56 1.0 57 1.0<br /> 56<br /> 57<br /> 58 59 1.0 60 1.0<br /> 59<br /> 60<br /> 61 62 1.0 63 1.0<br /> 62<br /> 63<br /> 64 65 1.0 66 1.0<br /> 65<br /> 66<br /> 67 68 1.0 69 1.0<br /> 68<br /> 69<br /> 70 71 1.0 72 1.0<br /> 71<br /> 72<br /> 73 74 1.0 75 1.0<br /> 74<br /> 75<br /> 76 77 1.0 78 1.0<br /> 77<br /> 78<br /> 79 80 1.0 81 1.0<br /> 80<br /> 81<br /> 82 83 1.0 84 1.0<br /> 83<br /> 84<br /> 85 86 1.0 87 1.0<br /> 86<br /> 87<br /> 88 89 1.0 90 1.0<br /> 89<br /> 90<br /> 91 92 1.0 93 1.0<br /> 92<br /> 93<br /> 94 95 1.0 96 1.0<br /> 95<br /> 96<br /> 97 98 1.0 99 1.0<br /> 98<br /> 99<br /> 100 101 1.0 102 1.0<br /> 101<br /> 102<br /> 103 104 1.0 105 1.0<br /> 104<br /> 105<br /> 106 107 1.0 108 1.0<br /> 107<br /> 108<br /> 109 110 1.0 111 1.0<br /> 110<br /> 111<br /> 112 113 1.0 114 1.0<br /> 113<br /> 114<br /> 115 116 1.0 117 1.0<br /> 116<br /> 117<br /> 118 119 1.0 120 1.0<br /> 119<br /> 120<br /> 121 122 1.0 123 1.0<br /> 122<br /> 123<br /> 124 125 1.0 126 1.0<br /> 125<br /> 126<br /> 127 128 1.0 129 1.0<br /> 128<br /> 129<br /> &lt;span style=&quot;color:white&quot;&gt;blank line&lt;/span&gt;<br /> VDW OW 1.7769 0.1554<br /> VDW S 1.9924 0.2500<br /> VDW O1 1.8380 0.2062<br /> VDW O2 1.8380 0.2062<br /> VDW O3 1.8380 0.2062<br /> VDW O4 1.8380 0.2062<br /> VDW H 0.0000 0.0000<br /> VDW HW 0.0000 0.0000<br /> NonBon 3 1 0 0 0.0 0.0 0.5 0.0 0.0 -1.0<br /> HrmStr1 S O1 556.477 1.634<br /> HrmStr1 S O2 1252.366 1.438<br /> HrmStr1 S O3 1252.366 1.438<br /> HrmStr1 S O4 1252.366 1.438<br /> HrmStr1 O1 H 1090.129 0.949<br /> HrmStr1 OW HW 1108.570 1.000<br /> HrmBnd1 HW OW HW 91.539 109.40<br /> HrmBnd1 O2 S O3 109.22 114.76<br /> HrmBnd1 O2 S O4 109.22 114.76<br /> HrmBnd1 O3 S O4 109.22 114.76<br /> HrmBnd1 O1 S O2 194.67 103.45<br /> HrmBnd1 O1 S O3 194.67 103.45 <br /> HrmBnd1 O1 S O4 194.67 103.45<br /> HrmBnd1 H O1 S 95.320 106.39<br /> MM2Tors O2 O3 O4 H 0.000000 0.0000000 0.000000<br /> &lt;span style=&quot;color:white&quot;&gt;blank line&lt;/span&gt;<br /> &lt;span style=&quot;color:white&quot;&gt;blank line&lt;/span&gt;</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/basiconiom&diff=326256 2013-03-06T09:42:44Z

<p>Gvl07: /* Basic ONIOM (Mechanical Embedding) */</p> <hr /> <div>=Basic ONIOM (Mechanical Embedding)=<br /> <br /> 1. Sample ONIOM input file<br /> %chk=toy2.chk<br /> %mem=5800MB<br /> %nprocshared=4<br /> #p opt=(calcfc,quadmacro) oniom(b3lyp/6-31+g(d,p):amber=(softonly,print))<br /> nosymm geom=connectivity<br /> &lt;span style=&quot;color:white&quot;&gt;blank line&lt;/span&gt; <br /> Test H2O<br /> &lt;span style=&quot;color:white&quot;&gt;blank line&lt;/span&gt;<br /> -1 1 -1 1 -1 1<br /> S-S-1.270000 0 0.10284895 0.02757327 0.05534583 H<br /> O-O1--0.640000 0 0.95090502 -1.05075883 -0.81085201 H<br /> O-O2--0.670000 0 -0.51087811 0.82245133 -0.91214172 H<br /> O-O3--0.670000 0 -0.81851250 -0.72427103 0.81164058 H<br /> O-O4--0.670000 0 1.11462042 0.79477780 0.80476499 H<br /> H-H-0.380000 0 0.45941997 -1.72717140 -1.30097755 H<br /> O-OW--0.847600 0 3.31669151 0.92337934 2.20457485 L<br /> H-HW-0.423800 0 2.45080557 0.82778355 1.63296313 L<br /> H-HW-0.423800 0 3.48603341 -0.04930496 2.47598596 L<br /> O-OW--0.847600 0 -0.22954592 2.02696219 2.80161775 L<br /> H-HW-0.423800 0 0.26747515 1.48301390 2.11598828 L<br /> H-HW-0.423800 0 0.28064120 1.84302227 3.63593862 L<br /> O-OW--0.847600 0 -2.29924951 -1.45878390 3.35153800 L<br /> H-HW-0.423800 0 -1.87326212 -1.03609584 2.58030291 L<br /> H-HW-0.423800 0 -2.87613390 -2.25478077 3.00874061 L<br /> O-OW--0.847600 0 -3.54879856 -0.88925095 0.08410237 L<br /> H-HW-0.423800 0 -3.87672866 -0.69332912 -0.88175409 L<br /> H-HW-0.423800 0 -2.59079526 -0.54744474 0.17954089 L<br /> O-OW--0.847600 0 -1.83913482 3.22538749 -0.59342039 L<br /> H-HW-0.423800 0 -1.29220416 2.34165819 -0.77772930 L<br /> H-HW-0.423800 0 -1.87947273 3.40788366 0.38849210 L<br /> O-OW--0.847600 0 -0.28045738 -3.12703664 -2.19490573 L<br /> H-HW-0.423800 0 0.08068071 -4.06820600 -2.35482136 L<br /> H-HW-0.423800 0 -1.31072517 -3.35441273 -2.29980667 L<br /> O-OW--0.847600 0 2.37543122 2.81921989 -1.66804655 L<br /> H-HW-0.423800 0 2.58818235 1.94618777 -1.18868481 L<br /> H-HW-0.423800 0 1.72881114 3.25739501 -1.07832183 L<br /> O-OW--0.847600 0 3.11591669 0.24299129 -1.58116804 L<br /> H-HW-0.423800 0 3.97376898 -0.23507194 -1.37416825 L<br /> H-HW-0.423800 0 2.39885963 -0.35034399 -1.06960474 L<br /> O-OW--0.847600 0 0.40050495 -3.04638717 1.40557679 L<br /> H-HW-0.423800 0 -0.10980106 -2.20999055 1.09766318 L<br /> H-HW-0.423800 0 0.81031776 -3.51765847 0.61371410 L<br /> O-OW--0.847600 0 -1.64745773 0.16003978 -3.18188232 L<br /> H-HW-0.423800 0 -1.23948138 0.44264616 -2.25324594 L<br /> H-HW-0.423800 0 -2.62310947 0.05217754 -2.86863471 L<br /> O-OW--0.847600 0 -5.08755345 1.49182027 1.58924908 L<br /> H-HW-0.423800 0 -5.05718425 0.81983890 2.36514831 L<br /> H-HW-0.423800 0 -5.16185625 0.85085664 0.81364159 L<br /> O-OW--0.847600 0 3.26723407 -4.03836556 -3.02872512 L<br /> H-HW-0.423800 0 4.19147258 -3.56273215 -3.22572177 L<br /> H-HW-0.423800 0 3.33695773 -5.00125243 -3.39061107 L<br /> O-OW--0.847600 0 -2.79617222 4.87207773 -2.64701036 L<br /> H-HW-0.423800 0 -2.38699550 4.19042036 -2.02914219 L<br /> H-HW-0.423800 0 -3.79636283 4.89932137 -2.44654765 L<br /> O-OW--0.847600 0 -3.79136740 -3.16014660 1.88872086 L<br /> H-HW-0.423800 0 -3.82220797 -2.37463058 1.22920675 L<br /> H-HW-0.423800 0 -4.72346956 -3.43258399 2.04504453 L<br /> O-OW--0.847600 0 -0.05332830 5.17293005 -2.62027162 L<br /> H-HW-0.423800 0 -1.04665234 5.08408816 -2.53325120 L<br /> H-HW-0.423800 0 0.26914823 4.46882731 -3.27838147 L<br /> O-OW--0.847600 0 1.96530067 -1.12975711 5.92766806 L<br /> H-HW-0.423800 0 2.13187580 -1.46550141 4.91366037 L<br /> H-HW-0.423800 0 1.03097963 -1.35565533 6.10178085 L<br /> O-OW--0.847600 0 4.87048460 1.41771674 -3.35630932 L<br /> H-HW-0.423800 0 5.43334848 1.87198187 -2.64889583 L<br /> H-HW-0.423800 0 4.02992477 1.02265590 -2.89918480 L<br /> O-OW--0.847600 0 -4.30979537 0.03115515 -2.36039196 L<br /> H-HW-0.423800 0 -4.94228341 0.87811472 -2.46496555 L<br /> H-HW-0.423800 0 -4.78898651 -0.75763020 -2.85020923 L<br /> O-OW--0.847600 0 5.35899322 -3.43204090 0.73861728 L<br /> H-HW-0.423800 0 4.79554562 -4.14684764 1.23026341 L<br /> H-HW-0.423800 0 6.04605274 -3.95498834 0.16323939 L<br /> O-OW--0.847600 0 3.16882416 3.14969257 4.25063400 L<br /> H-HW-0.423800 0 2.95532920 2.57234472 3.43529320 L<br /> H-HW-0.423800 0 3.04584297 4.14266981 3.91376106 L<br /> O-OW--0.847600 0 3.27948080 -5.16714298 1.69901926 L<br /> H-HW-0.423800 0 2.68631024 -4.74505979 0.98631060 L<br /> H-HW-0.423800 0 2.69838845 -5.95107243 2.06043996 L<br /> O-OW--0.847600 0 -1.23607274 2.60022378 -4.28824141 L<br /> H-HW-0.423800 0 -1.36968510 1.68064847 -3.90529225 L<br /> H-HW-0.423800 0 -0.21438016 2.78286215 -4.28590581 L<br /> O-OW--0.847600 0 1.36801994 3.39197449 -4.39578410 L<br /> H-HW-0.423800 0 1.89606292 3.44271062 -3.52170221 L<br /> H-HW-0.423800 0 2.01846091 3.30008448 -5.16935051 L<br /> O-OW--0.847600 0 1.61355606 -2.40592290 -3.98747917 L<br /> H-HW-0.423800 0 0.87336650 -2.63408396 -3.27166558 L<br /> H-HW-0.423800 0 2.40492124 -2.90639136 -3.61971395 L<br /> O-OW--0.847600 0 5.17914692 2.14279412 1.04921962 L<br /> H-HW-0.423800 0 4.51208728 1.55811859 1.69499597 L<br /> H-HW-0.423800 0 4.79453093 3.05702789 1.00916819 L<br /> O-OW--0.847600 0 -4.79851239 -0.03227942 3.70741132 L<br /> H-HW-0.423800 0 -4.73945444 0.27002293 4.68870800 L<br /> H-HW-0.423800 0 -3.90573817 -0.46172618 3.47416608 L<br /> O-OW--0.847600 0 -0.61933272 -2.71855519 5.89241093 L<br /> H-HW-0.423800 0 -0.72454676 -2.98041195 4.95310793 L<br /> H-HW-0.423800 0 -1.50983193 -2.27391277 6.06907574 L<br /> O-OW--0.847600 0 -2.61813265 2.99849925 2.41190720 L<br /> H-HW-0.423800 0 4.19147258 -3.56273215 -3.22572177 L<br /> H-HW-0.423800 0 3.33695773 -5.00125243 -3.39061107 L<br /> O-OW--0.847600 0 -2.79617222 4.87207773 -2.64701036 L<br /> H-HW-0.423800 0 -2.38699550 4.19042036 -2.02914219 L<br /> H-HW-0.423800 0 -3.79636283 4.89932137 -2.44654765 L<br /> O-OW--0.847600 0 -3.79136740 -3.16014660 1.88872086 L<br /> H-HW-0.423800 0 -3.82220797 -2.37463058 1.22920675 L<br /> H-HW-0.423800 0 -4.72346956 -3.43258399 2.04504453 L<br /> O-OW--0.847600 0 -0.05332830 5.17293005 -2.62027162 L<br /> H-HW-0.423800 0 -1.04665234 5.08408816 -2.53325120 L<br /> H-HW-0.423800 0 0.26914823 4.46882731 -3.27838147 L<br /> O-OW--0.847600 0 1.96530067 -1.12975711 5.92766806 L<br /> H-HW-0.423800 0 2.13187580 -1.46550141 4.91366037 L<br /> H-HW-0.423800 0 1.03097963 -1.35565533 6.10178085 L<br /> O-OW--0.847600 0 4.87048460 1.41771674 -3.35630932 L<br /> H-HW-0.423800 0 5.43334848 1.87198187 -2.64889583 L<br /> H-HW-0.423800 0 4.02992477 1.02265590 -2.89918480 L<br /> O-OW--0.847600 0 -4.30979537 0.03115515 -2.36039196 L<br /> H-HW-0.423800 0 -4.94228341 0.87811472 -2.46496555 L<br /> H-HW-0.423800 0 -4.78898651 -0.75763020 -2.85020923 L<br /> O-OW--0.847600 0 5.35899322 -3.43204090 0.73861728 L<br /> H-HW-0.423800 0 4.79554562 -4.14684764 1.23026341 L<br /> H-HW-0.423800 0 6.04605274 -3.95498834 0.16323939 L<br /> O-OW--0.847600 0 3.16882416 3.14969257 4.25063400 L<br /> H-HW-0.423800 0 2.95532920 2.57234472 3.43529320 L<br /> H-HW-0.423800 0 3.04584297 4.14266981 3.91376106 L<br /> O-OW--0.847600 0 3.27948080 -5.16714298 1.69901926 L<br /> H-HW-0.423800 0 2.68631024 -4.74505979 0.98631060 L<br /> H-HW-0.423800 0 2.69838845 -5.95107243 2.06043996 L<br /> O-OW--0.847600 0 -1.23607274 2.60022378 -4.28824141 L<br /> H-HW-0.423800 0 -1.36968510 1.68064847 -3.90529225 L<br /> H-HW-0.423800 0 -0.21438016 2.78286215 -4.28590581 L<br /> O-OW--0.847600 0 1.36801994 3.39197449 -4.39578410 L<br /> H-HW-0.423800 0 1.89606292 3.44271062 -3.52170221 L<br /> H-HW-0.423800 0 2.01846091 3.30008448 -5.16935051 L<br /> O-OW--0.847600 0 1.61355606 -2.40592290 -3.98747917 L<br /> H-HW-0.423800 0 0.87336650 -2.63408396 -3.27166558 L<br /> H-HW-0.423800 0 2.40492124 -2.90639136 -3.61971395 L<br /> O-OW--0.847600 0 5.17914692 2.14279412 1.04921962 L<br /> H-HW-0.423800 0 4.51208728 1.55811859 1.69499597 L<br /> H-HW-0.423800 0 4.79453093 3.05702789 1.00916819 L<br /> O-OW--0.847600 0 -4.79851239 -0.03227942 3.70741132 L<br /> H-HW-0.423800 0 -4.73945444 0.27002293 4.68870800 L<br /> H-HW-0.423800 0 -3.90573817 -0.46172618 3.47416608 L<br /> O-OW--0.847600 0 -0.61933272 -2.71855519 5.89241093 L<br /> H-HW-0.423800 0 -0.72454676 -2.98041195 4.95310793 L<br /> H-HW-0.423800 0 -1.50983193 -2.27391277 6.06907574 L<br /> O-OW--0.847600 0 -2.61813265 2.99849925 2.41190720 L<br /> &lt;span style=&quot;color:white&quot;&gt;blank line&lt;/span&gt;<br /> 1 2 1.0 3 2.0 4 2.0 5 2.0<br /> 2 6 1.0<br /> 3<br /> 4<br /> 5<br /> 6<br /> 7 8 1.0 9 1.0<br /> 8<br /> 9<br /> 10 11 1.0 12 1.0<br /> 11<br /> 12<br /> 13 14 1.0 15 1.0<br /> 14<br /> 15<br /> 16 17 1.0 18 1.0<br /> 17<br /> 18<br /> 19 20 1.0 21 1.0<br /> 20<br /> 21<br /> 22 23 1.0 24 1.0<br /> 23<br /> 24<br /> 25 26 1.0 27 1.0<br /> 26<br /> 27<br /> 28 29 1.0 30 1.0<br /> 29<br /> 30<br /> 31 32 1.0 33 1.0<br /> 32<br /> 33<br /> 34 35 1.0 36 1.0<br /> 35<br /> 36<br /> 37 38 1.0 39 1.0<br /> 38<br /> 39<br /> 40 41 1.0 42 1.0<br /> 41<br /> 42<br /> 43 44 1.0 45 1.0<br /> 44<br /> 45<br /> 46 47 1.0 48 1.0<br /> 47<br /> 48<br /> 49 50 1.0 51 1.0<br /> 50<br /> 51<br /> 52 53 1.0 54 1.0<br /> 53<br /> 54<br /> 55 56 1.0 57 1.0<br /> 56<br /> 57<br /> 58 59 1.0 60 1.0<br /> 59<br /> 60<br /> 61 62 1.0 63 1.0<br /> 62<br /> 63<br /> 64 65 1.0 66 1.0<br /> 65<br /> 66<br /> 67 68 1.0 69 1.0<br /> 68<br /> 69<br /> 70 71 1.0 72 1.0<br /> 71<br /> 72<br /> 73 74 1.0 75 1.0<br /> 74<br /> 75<br /> 76 77 1.0 78 1.0<br /> 77<br /> 78<br /> 79 80 1.0 81 1.0<br /> 80<br /> 81<br /> 82 83 1.0 84 1.0<br /> 83<br /> 84<br /> 85 86 1.0 87 1.0<br /> 86<br /> 87<br /> 88 89 1.0 90 1.0<br /> 89<br /> 90<br /> 91 92 1.0 93 1.0<br /> 92<br /> 93<br /> 94 95 1.0 96 1.0<br /> 95<br /> 96<br /> 97 98 1.0 99 1.0<br /> 98<br /> 99<br /> 100 101 1.0 102 1.0<br /> 101<br /> 102<br /> 103 104 1.0 105 1.0<br /> 104<br /> 105<br /> 106 107 1.0 108 1.0<br /> 107<br /> 108<br /> 109 110 1.0 111 1.0<br /> 110<br /> 111<br /> 112 113 1.0 114 1.0<br /> 113<br /> 114<br /> 115 116 1.0 117 1.0<br /> 116<br /> 117<br /> 118 119 1.0 120 1.0<br /> 119<br /> 120<br /> 121 122 1.0 123 1.0<br /> 122<br /> 123<br /> 124 125 1.0 126 1.0<br /> 125<br /> 126<br /> 127 128 1.0 129 1.0<br /> 128<br /> 129<br /> &lt;span style=&quot;color:white&quot;&gt;blank line&lt;/span&gt;<br /> VDW OW 1.7769 0.1554<br /> VDW S 1.9924 0.2500<br /> VDW O1 1.8380 0.2062<br /> VDW O2 1.8380 0.2062<br /> VDW O3 1.8380 0.2062<br /> VDW O4 1.8380 0.2062<br /> VDW H 0.0000 0.0000<br /> VDW HW 0.0000 0.0000<br /> NonBon 3 1 0 0 0.0 0.0 0.5 0.0 0.0 -1.0<br /> HrmStr1 S O1 556.477 1.634<br /> HrmStr1 S O2 1252.366 1.438<br /> HrmStr1 S O3 1252.366 1.438<br /> HrmStr1 S O4 1252.366 1.438<br /> HrmStr1 O1 H 1090.129 0.949<br /> HrmStr1 OW HW 1108.570 1.000<br /> HrmBnd1 HW OW HW 91.539 109.40<br /> HrmBnd1 O2 S O3 109.22 114.76<br /> HrmBnd1 O2 S O4 109.22 114.76<br /> HrmBnd1 O3 S O4 109.22 114.76<br /> HrmBnd1 O1 S O2 194.67 103.45<br /> HrmBnd1 O1 S O3 194.67 103.45 <br /> HrmBnd1 O1 S O4 194.67 103.45<br /> HrmBnd1 H O1 S 95.320 106.39<br /> MM2Tors O2 O3 O4 H 0.000000 0.0000000 0.000000</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/basiconiom&diff=326255 2013-03-06T09:41:53Z

<p>Gvl07: /* Basic ONIOM (Mechanical Embedding) */</p> <hr /> <div>=Basic ONIOM (Mechanical Embedding)=<br /> <br /> 1. Sample ONIOM input file<br /> %chk=toy2.chk<br /> %mem=5800MB<br /> %nprocshared=4<br /> #p opt=(calcfc,quadmacro) oniom(b3lyp/6-31+g(d,p):amber=(softonly,print))<br /> nosymm geom=connectivity<br /> &lt;span style=&quot;color:white&quot;&gt;red writing&lt;/span&gt; <br /> Test H2O<br /> -1 1 -1 1 -1 1<br /> S-S-1.270000 0 0.10284895 0.02757327 0.05534583 H<br /> O-O1--0.640000 0 0.95090502 -1.05075883 -0.81085201 H<br /> O-O2--0.670000 0 -0.51087811 0.82245133 -0.91214172 H<br /> O-O3--0.670000 0 -0.81851250 -0.72427103 0.81164058 H<br /> O-O4--0.670000 0 1.11462042 0.79477780 0.80476499 H<br /> H-H-0.380000 0 0.45941997 -1.72717140 -1.30097755 H<br /> O-OW--0.847600 0 3.31669151 0.92337934 2.20457485 L<br /> H-HW-0.423800 0 2.45080557 0.82778355 1.63296313 L<br /> H-HW-0.423800 0 3.48603341 -0.04930496 2.47598596 L<br /> O-OW--0.847600 0 -0.22954592 2.02696219 2.80161775 L<br /> H-HW-0.423800 0 0.26747515 1.48301390 2.11598828 L<br /> H-HW-0.423800 0 0.28064120 1.84302227 3.63593862 L<br /> O-OW--0.847600 0 -2.29924951 -1.45878390 3.35153800 L<br /> H-HW-0.423800 0 -1.87326212 -1.03609584 2.58030291 L<br /> H-HW-0.423800 0 -2.87613390 -2.25478077 3.00874061 L<br /> O-OW--0.847600 0 -3.54879856 -0.88925095 0.08410237 L<br /> H-HW-0.423800 0 -3.87672866 -0.69332912 -0.88175409 L<br /> H-HW-0.423800 0 -2.59079526 -0.54744474 0.17954089 L<br /> O-OW--0.847600 0 -1.83913482 3.22538749 -0.59342039 L<br /> H-HW-0.423800 0 -1.29220416 2.34165819 -0.77772930 L<br /> H-HW-0.423800 0 -1.87947273 3.40788366 0.38849210 L<br /> O-OW--0.847600 0 -0.28045738 -3.12703664 -2.19490573 L<br /> H-HW-0.423800 0 0.08068071 -4.06820600 -2.35482136 L<br /> H-HW-0.423800 0 -1.31072517 -3.35441273 -2.29980667 L<br /> O-OW--0.847600 0 2.37543122 2.81921989 -1.66804655 L<br /> H-HW-0.423800 0 2.58818235 1.94618777 -1.18868481 L<br /> H-HW-0.423800 0 1.72881114 3.25739501 -1.07832183 L<br /> O-OW--0.847600 0 3.11591669 0.24299129 -1.58116804 L<br /> H-HW-0.423800 0 3.97376898 -0.23507194 -1.37416825 L<br /> H-HW-0.423800 0 2.39885963 -0.35034399 -1.06960474 L<br /> O-OW--0.847600 0 0.40050495 -3.04638717 1.40557679 L<br /> H-HW-0.423800 0 -0.10980106 -2.20999055 1.09766318 L<br /> H-HW-0.423800 0 0.81031776 -3.51765847 0.61371410 L<br /> O-OW--0.847600 0 -1.64745773 0.16003978 -3.18188232 L<br /> H-HW-0.423800 0 -1.23948138 0.44264616 -2.25324594 L<br /> H-HW-0.423800 0 -2.62310947 0.05217754 -2.86863471 L<br /> O-OW--0.847600 0 -5.08755345 1.49182027 1.58924908 L<br /> H-HW-0.423800 0 -5.05718425 0.81983890 2.36514831 L<br /> H-HW-0.423800 0 -5.16185625 0.85085664 0.81364159 L<br /> O-OW--0.847600 0 3.26723407 -4.03836556 -3.02872512 L<br /> H-HW-0.423800 0 4.19147258 -3.56273215 -3.22572177 L<br /> H-HW-0.423800 0 3.33695773 -5.00125243 -3.39061107 L<br /> O-OW--0.847600 0 -2.79617222 4.87207773 -2.64701036 L<br /> H-HW-0.423800 0 -2.38699550 4.19042036 -2.02914219 L<br /> H-HW-0.423800 0 -3.79636283 4.89932137 -2.44654765 L<br /> O-OW--0.847600 0 -3.79136740 -3.16014660 1.88872086 L<br /> H-HW-0.423800 0 -3.82220797 -2.37463058 1.22920675 L<br /> H-HW-0.423800 0 -4.72346956 -3.43258399 2.04504453 L<br /> O-OW--0.847600 0 -0.05332830 5.17293005 -2.62027162 L<br /> H-HW-0.423800 0 -1.04665234 5.08408816 -2.53325120 L<br /> H-HW-0.423800 0 0.26914823 4.46882731 -3.27838147 L<br /> O-OW--0.847600 0 1.96530067 -1.12975711 5.92766806 L<br /> H-HW-0.423800 0 2.13187580 -1.46550141 4.91366037 L<br /> H-HW-0.423800 0 1.03097963 -1.35565533 6.10178085 L<br /> O-OW--0.847600 0 4.87048460 1.41771674 -3.35630932 L<br /> H-HW-0.423800 0 5.43334848 1.87198187 -2.64889583 L<br /> H-HW-0.423800 0 4.02992477 1.02265590 -2.89918480 L<br /> O-OW--0.847600 0 -4.30979537 0.03115515 -2.36039196 L<br /> H-HW-0.423800 0 -4.94228341 0.87811472 -2.46496555 L<br /> H-HW-0.423800 0 -4.78898651 -0.75763020 -2.85020923 L<br /> O-OW--0.847600 0 5.35899322 -3.43204090 0.73861728 L<br /> H-HW-0.423800 0 4.79554562 -4.14684764 1.23026341 L<br /> H-HW-0.423800 0 6.04605274 -3.95498834 0.16323939 L<br /> O-OW--0.847600 0 3.16882416 3.14969257 4.25063400 L<br /> H-HW-0.423800 0 2.95532920 2.57234472 3.43529320 L<br /> H-HW-0.423800 0 3.04584297 4.14266981 3.91376106 L<br /> O-OW--0.847600 0 3.27948080 -5.16714298 1.69901926 L<br /> H-HW-0.423800 0 2.68631024 -4.74505979 0.98631060 L<br /> H-HW-0.423800 0 2.69838845 -5.95107243 2.06043996 L<br /> O-OW--0.847600 0 -1.23607274 2.60022378 -4.28824141 L<br /> H-HW-0.423800 0 -1.36968510 1.68064847 -3.90529225 L<br /> H-HW-0.423800 0 -0.21438016 2.78286215 -4.28590581 L<br /> O-OW--0.847600 0 1.36801994 3.39197449 -4.39578410 L<br /> H-HW-0.423800 0 1.89606292 3.44271062 -3.52170221 L<br /> H-HW-0.423800 0 2.01846091 3.30008448 -5.16935051 L<br /> O-OW--0.847600 0 1.61355606 -2.40592290 -3.98747917 L<br /> H-HW-0.423800 0 0.87336650 -2.63408396 -3.27166558 L<br /> H-HW-0.423800 0 2.40492124 -2.90639136 -3.61971395 L<br /> O-OW--0.847600 0 5.17914692 2.14279412 1.04921962 L<br /> H-HW-0.423800 0 4.51208728 1.55811859 1.69499597 L<br /> H-HW-0.423800 0 4.79453093 3.05702789 1.00916819 L<br /> O-OW--0.847600 0 -4.79851239 -0.03227942 3.70741132 L<br /> H-HW-0.423800 0 -4.73945444 0.27002293 4.68870800 L<br /> H-HW-0.423800 0 -3.90573817 -0.46172618 3.47416608 L<br /> O-OW--0.847600 0 -0.61933272 -2.71855519 5.89241093 L<br /> H-HW-0.423800 0 -0.72454676 -2.98041195 4.95310793 L<br /> H-HW-0.423800 0 -1.50983193 -2.27391277 6.06907574 L<br /> O-OW--0.847600 0 -2.61813265 2.99849925 2.41190720 L<br /> H-HW-0.423800 0 4.19147258 -3.56273215 -3.22572177 L<br /> H-HW-0.423800 0 3.33695773 -5.00125243 -3.39061107 L<br /> O-OW--0.847600 0 -2.79617222 4.87207773 -2.64701036 L<br /> H-HW-0.423800 0 -2.38699550 4.19042036 -2.02914219 L<br /> H-HW-0.423800 0 -3.79636283 4.89932137 -2.44654765 L<br /> O-OW--0.847600 0 -3.79136740 -3.16014660 1.88872086 L<br /> H-HW-0.423800 0 -3.82220797 -2.37463058 1.22920675 L<br /> H-HW-0.423800 0 -4.72346956 -3.43258399 2.04504453 L<br /> O-OW--0.847600 0 -0.05332830 5.17293005 -2.62027162 L<br /> H-HW-0.423800 0 -1.04665234 5.08408816 -2.53325120 L<br /> H-HW-0.423800 0 0.26914823 4.46882731 -3.27838147 L<br /> O-OW--0.847600 0 1.96530067 -1.12975711 5.92766806 L<br /> H-HW-0.423800 0 2.13187580 -1.46550141 4.91366037 L<br /> H-HW-0.423800 0 1.03097963 -1.35565533 6.10178085 L<br /> O-OW--0.847600 0 4.87048460 1.41771674 -3.35630932 L<br /> H-HW-0.423800 0 5.43334848 1.87198187 -2.64889583 L<br /> H-HW-0.423800 0 4.02992477 1.02265590 -2.89918480 L<br /> O-OW--0.847600 0 -4.30979537 0.03115515 -2.36039196 L<br /> H-HW-0.423800 0 -4.94228341 0.87811472 -2.46496555 L<br /> H-HW-0.423800 0 -4.78898651 -0.75763020 -2.85020923 L<br /> O-OW--0.847600 0 5.35899322 -3.43204090 0.73861728 L<br /> H-HW-0.423800 0 4.79554562 -4.14684764 1.23026341 L<br /> H-HW-0.423800 0 6.04605274 -3.95498834 0.16323939 L<br /> O-OW--0.847600 0 3.16882416 3.14969257 4.25063400 L<br /> H-HW-0.423800 0 2.95532920 2.57234472 3.43529320 L<br /> H-HW-0.423800 0 3.04584297 4.14266981 3.91376106 L<br /> O-OW--0.847600 0 3.27948080 -5.16714298 1.69901926 L<br /> H-HW-0.423800 0 2.68631024 -4.74505979 0.98631060 L<br /> H-HW-0.423800 0 2.69838845 -5.95107243 2.06043996 L<br /> O-OW--0.847600 0 -1.23607274 2.60022378 -4.28824141 L<br /> H-HW-0.423800 0 -1.36968510 1.68064847 -3.90529225 L<br /> H-HW-0.423800 0 -0.21438016 2.78286215 -4.28590581 L<br /> O-OW--0.847600 0 1.36801994 3.39197449 -4.39578410 L<br /> H-HW-0.423800 0 1.89606292 3.44271062 -3.52170221 L<br /> H-HW-0.423800 0 2.01846091 3.30008448 -5.16935051 L<br /> O-OW--0.847600 0 1.61355606 -2.40592290 -3.98747917 L<br /> H-HW-0.423800 0 0.87336650 -2.63408396 -3.27166558 L<br /> H-HW-0.423800 0 2.40492124 -2.90639136 -3.61971395 L<br /> O-OW--0.847600 0 5.17914692 2.14279412 1.04921962 L<br /> H-HW-0.423800 0 4.51208728 1.55811859 1.69499597 L<br /> H-HW-0.423800 0 4.79453093 3.05702789 1.00916819 L<br /> O-OW--0.847600 0 -4.79851239 -0.03227942 3.70741132 L<br /> H-HW-0.423800 0 -4.73945444 0.27002293 4.68870800 L<br /> H-HW-0.423800 0 -3.90573817 -0.46172618 3.47416608 L<br /> O-OW--0.847600 0 -0.61933272 -2.71855519 5.89241093 L<br /> H-HW-0.423800 0 -0.72454676 -2.98041195 4.95310793 L<br /> H-HW-0.423800 0 -1.50983193 -2.27391277 6.06907574 L<br /> O-OW--0.847600 0 -2.61813265 2.99849925 2.41190720 L<br /> 1 2 1.0 3 2.0 4 2.0 5 2.0<br /> 2 6 1.0<br /> 3<br /> 4<br /> 5<br /> 6<br /> 7 8 1.0 9 1.0<br /> 8<br /> 9<br /> 10 11 1.0 12 1.0<br /> 11<br /> 12<br /> 13 14 1.0 15 1.0<br /> 14<br /> 15<br /> 16 17 1.0 18 1.0<br /> 17<br /> 18<br /> 19 20 1.0 21 1.0<br /> 20<br /> 21<br /> 22 23 1.0 24 1.0<br /> 23<br /> 24<br /> 25 26 1.0 27 1.0<br /> 26<br /> 27<br /> 28 29 1.0 30 1.0<br /> 29<br /> 30<br /> 31 32 1.0 33 1.0<br /> 32<br /> 33<br /> 34 35 1.0 36 1.0<br /> 35<br /> 36<br /> 37 38 1.0 39 1.0<br /> 38<br /> 39<br /> 40 41 1.0 42 1.0<br /> 41<br /> 42<br /> 43 44 1.0 45 1.0<br /> 44<br /> 45<br /> 46 47 1.0 48 1.0<br /> 47<br /> 48<br /> 49 50 1.0 51 1.0<br /> 50<br /> 51<br /> 52 53 1.0 54 1.0<br /> 53<br /> 54<br /> 55 56 1.0 57 1.0<br /> 56<br /> 57<br /> 58 59 1.0 60 1.0<br /> 59<br /> 60<br /> 61 62 1.0 63 1.0<br /> 62<br /> 63<br /> 64 65 1.0 66 1.0<br /> 65<br /> 66<br /> 67 68 1.0 69 1.0<br /> 68<br /> 69<br /> 70 71 1.0 72 1.0<br /> 71<br /> 72<br /> 73 74 1.0 75 1.0<br /> 74<br /> 75<br /> 76 77 1.0 78 1.0<br /> 77<br /> 78<br /> 79 80 1.0 81 1.0<br /> 80<br /> 81<br /> 82 83 1.0 84 1.0<br /> 83<br /> 84<br /> 85 86 1.0 87 1.0<br /> 86<br /> 87<br /> 88 89 1.0 90 1.0<br /> 89<br /> 90<br /> 91 92 1.0 93 1.0<br /> 92<br /> 93<br /> 94 95 1.0 96 1.0<br /> 95<br /> 96<br /> 97 98 1.0 99 1.0<br /> 98<br /> 99<br /> 100 101 1.0 102 1.0<br /> 101<br /> 102<br /> 103 104 1.0 105 1.0<br /> 104<br /> 105<br /> 106 107 1.0 108 1.0<br /> 107<br /> 108<br /> 109 110 1.0 111 1.0<br /> 110<br /> 111<br /> 112 113 1.0 114 1.0<br /> 113<br /> 114<br /> 115 116 1.0 117 1.0<br /> 116<br /> 117<br /> 118 119 1.0 120 1.0<br /> 119<br /> 120<br /> 121 122 1.0 123 1.0<br /> 122<br /> 123<br /> 124 125 1.0 126 1.0<br /> 125<br /> 126<br /> 127 128 1.0 129 1.0<br /> 128<br /> 129<br /> VDW OW 1.7769 0.1554<br /> VDW S 1.9924 0.2500<br /> VDW O1 1.8380 0.2062<br /> VDW O2 1.8380 0.2062<br /> VDW O3 1.8380 0.2062<br /> VDW O4 1.8380 0.2062<br /> VDW H 0.0000 0.0000<br /> VDW HW 0.0000 0.0000<br /> NonBon 3 1 0 0 0.0 0.0 0.5 0.0 0.0 -1.0<br /> HrmStr1 S O1 556.477 1.634<br /> HrmStr1 S O2 1252.366 1.438<br /> HrmStr1 S O3 1252.366 1.438<br /> HrmStr1 S O4 1252.366 1.438<br /> HrmStr1 O1 H 1090.129 0.949<br /> HrmStr1 OW HW 1108.570 1.000<br /> HrmBnd1 HW OW HW 91.539 109.40<br /> HrmBnd1 O2 S O3 109.22 114.76<br /> HrmBnd1 O2 S O4 109.22 114.76<br /> HrmBnd1 O3 S O4 109.22 114.76<br /> HrmBnd1 O1 S O2 194.67 103.45<br /> HrmBnd1 O1 S O3 194.67 103.45 <br /> HrmBnd1 O1 S O4 194.67 103.45<br /> HrmBnd1 H O1 S 95.320 106.39<br /> MM2Tors O2 O3 O4 H 0.000000 0.0000000 0.000000</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/basiconiom&diff=326254 2013-03-06T09:41:40Z

<p>Gvl07: /* Basic ONIOM (Mechanical Embedding) */</p> <hr /> <div>=Basic ONIOM (Mechanical Embedding)=<br /> <br /> 1. Sample ONIOM input file<br /> %chk=toy2.chk<br /> %mem=5800MB<br /> %nprocshared=4<br /> #p opt=(calcfc,quadmacro) oniom(b3lyp/6-31+g(d,p):amber=(softonly,print))<br /> nosymm geom=connectivity<br /> &lt;span style=&quot;color:red&quot;&gt;red writing&lt;/span&gt; <br /> Test H2O<br /> -1 1 -1 1 -1 1<br /> S-S-1.270000 0 0.10284895 0.02757327 0.05534583 H<br /> O-O1--0.640000 0 0.95090502 -1.05075883 -0.81085201 H<br /> O-O2--0.670000 0 -0.51087811 0.82245133 -0.91214172 H<br /> O-O3--0.670000 0 -0.81851250 -0.72427103 0.81164058 H<br /> O-O4--0.670000 0 1.11462042 0.79477780 0.80476499 H<br /> H-H-0.380000 0 0.45941997 -1.72717140 -1.30097755 H<br /> O-OW--0.847600 0 3.31669151 0.92337934 2.20457485 L<br /> H-HW-0.423800 0 2.45080557 0.82778355 1.63296313 L<br /> H-HW-0.423800 0 3.48603341 -0.04930496 2.47598596 L<br /> O-OW--0.847600 0 -0.22954592 2.02696219 2.80161775 L<br /> H-HW-0.423800 0 0.26747515 1.48301390 2.11598828 L<br /> H-HW-0.423800 0 0.28064120 1.84302227 3.63593862 L<br /> O-OW--0.847600 0 -2.29924951 -1.45878390 3.35153800 L<br /> H-HW-0.423800 0 -1.87326212 -1.03609584 2.58030291 L<br /> H-HW-0.423800 0 -2.87613390 -2.25478077 3.00874061 L<br /> O-OW--0.847600 0 -3.54879856 -0.88925095 0.08410237 L<br /> H-HW-0.423800 0 -3.87672866 -0.69332912 -0.88175409 L<br /> H-HW-0.423800 0 -2.59079526 -0.54744474 0.17954089 L<br /> O-OW--0.847600 0 -1.83913482 3.22538749 -0.59342039 L<br /> H-HW-0.423800 0 -1.29220416 2.34165819 -0.77772930 L<br /> H-HW-0.423800 0 -1.87947273 3.40788366 0.38849210 L<br /> O-OW--0.847600 0 -0.28045738 -3.12703664 -2.19490573 L<br /> H-HW-0.423800 0 0.08068071 -4.06820600 -2.35482136 L<br /> H-HW-0.423800 0 -1.31072517 -3.35441273 -2.29980667 L<br /> O-OW--0.847600 0 2.37543122 2.81921989 -1.66804655 L<br /> H-HW-0.423800 0 2.58818235 1.94618777 -1.18868481 L<br /> H-HW-0.423800 0 1.72881114 3.25739501 -1.07832183 L<br /> O-OW--0.847600 0 3.11591669 0.24299129 -1.58116804 L<br /> H-HW-0.423800 0 3.97376898 -0.23507194 -1.37416825 L<br /> H-HW-0.423800 0 2.39885963 -0.35034399 -1.06960474 L<br /> O-OW--0.847600 0 0.40050495 -3.04638717 1.40557679 L<br /> H-HW-0.423800 0 -0.10980106 -2.20999055 1.09766318 L<br /> H-HW-0.423800 0 0.81031776 -3.51765847 0.61371410 L<br /> O-OW--0.847600 0 -1.64745773 0.16003978 -3.18188232 L<br /> H-HW-0.423800 0 -1.23948138 0.44264616 -2.25324594 L<br /> H-HW-0.423800 0 -2.62310947 0.05217754 -2.86863471 L<br /> O-OW--0.847600 0 -5.08755345 1.49182027 1.58924908 L<br /> H-HW-0.423800 0 -5.05718425 0.81983890 2.36514831 L<br /> H-HW-0.423800 0 -5.16185625 0.85085664 0.81364159 L<br /> O-OW--0.847600 0 3.26723407 -4.03836556 -3.02872512 L<br /> H-HW-0.423800 0 4.19147258 -3.56273215 -3.22572177 L<br /> H-HW-0.423800 0 3.33695773 -5.00125243 -3.39061107 L<br /> O-OW--0.847600 0 -2.79617222 4.87207773 -2.64701036 L<br /> H-HW-0.423800 0 -2.38699550 4.19042036 -2.02914219 L<br /> H-HW-0.423800 0 -3.79636283 4.89932137 -2.44654765 L<br /> O-OW--0.847600 0 -3.79136740 -3.16014660 1.88872086 L<br /> H-HW-0.423800 0 -3.82220797 -2.37463058 1.22920675 L<br /> H-HW-0.423800 0 -4.72346956 -3.43258399 2.04504453 L<br /> O-OW--0.847600 0 -0.05332830 5.17293005 -2.62027162 L<br /> H-HW-0.423800 0 -1.04665234 5.08408816 -2.53325120 L<br /> H-HW-0.423800 0 0.26914823 4.46882731 -3.27838147 L<br /> O-OW--0.847600 0 1.96530067 -1.12975711 5.92766806 L<br /> H-HW-0.423800 0 2.13187580 -1.46550141 4.91366037 L<br /> H-HW-0.423800 0 1.03097963 -1.35565533 6.10178085 L<br /> O-OW--0.847600 0 4.87048460 1.41771674 -3.35630932 L<br /> H-HW-0.423800 0 5.43334848 1.87198187 -2.64889583 L<br /> H-HW-0.423800 0 4.02992477 1.02265590 -2.89918480 L<br /> O-OW--0.847600 0 -4.30979537 0.03115515 -2.36039196 L<br /> H-HW-0.423800 0 -4.94228341 0.87811472 -2.46496555 L<br /> H-HW-0.423800 0 -4.78898651 -0.75763020 -2.85020923 L<br /> O-OW--0.847600 0 5.35899322 -3.43204090 0.73861728 L<br /> H-HW-0.423800 0 4.79554562 -4.14684764 1.23026341 L<br /> H-HW-0.423800 0 6.04605274 -3.95498834 0.16323939 L<br /> O-OW--0.847600 0 3.16882416 3.14969257 4.25063400 L<br /> H-HW-0.423800 0 2.95532920 2.57234472 3.43529320 L<br /> H-HW-0.423800 0 3.04584297 4.14266981 3.91376106 L<br /> O-OW--0.847600 0 3.27948080 -5.16714298 1.69901926 L<br /> H-HW-0.423800 0 2.68631024 -4.74505979 0.98631060 L<br /> H-HW-0.423800 0 2.69838845 -5.95107243 2.06043996 L<br /> O-OW--0.847600 0 -1.23607274 2.60022378 -4.28824141 L<br /> H-HW-0.423800 0 -1.36968510 1.68064847 -3.90529225 L<br /> H-HW-0.423800 0 -0.21438016 2.78286215 -4.28590581 L<br /> O-OW--0.847600 0 1.36801994 3.39197449 -4.39578410 L<br /> H-HW-0.423800 0 1.89606292 3.44271062 -3.52170221 L<br /> H-HW-0.423800 0 2.01846091 3.30008448 -5.16935051 L<br /> O-OW--0.847600 0 1.61355606 -2.40592290 -3.98747917 L<br /> H-HW-0.423800 0 0.87336650 -2.63408396 -3.27166558 L<br /> H-HW-0.423800 0 2.40492124 -2.90639136 -3.61971395 L<br /> O-OW--0.847600 0 5.17914692 2.14279412 1.04921962 L<br /> H-HW-0.423800 0 4.51208728 1.55811859 1.69499597 L<br /> H-HW-0.423800 0 4.79453093 3.05702789 1.00916819 L<br /> O-OW--0.847600 0 -4.79851239 -0.03227942 3.70741132 L<br /> H-HW-0.423800 0 -4.73945444 0.27002293 4.68870800 L<br /> H-HW-0.423800 0 -3.90573817 -0.46172618 3.47416608 L<br /> O-OW--0.847600 0 -0.61933272 -2.71855519 5.89241093 L<br /> H-HW-0.423800 0 -0.72454676 -2.98041195 4.95310793 L<br /> H-HW-0.423800 0 -1.50983193 -2.27391277 6.06907574 L<br /> O-OW--0.847600 0 -2.61813265 2.99849925 2.41190720 L<br /> H-HW-0.423800 0 4.19147258 -3.56273215 -3.22572177 L<br /> H-HW-0.423800 0 3.33695773 -5.00125243 -3.39061107 L<br /> O-OW--0.847600 0 -2.79617222 4.87207773 -2.64701036 L<br /> H-HW-0.423800 0 -2.38699550 4.19042036 -2.02914219 L<br /> H-HW-0.423800 0 -3.79636283 4.89932137 -2.44654765 L<br /> O-OW--0.847600 0 -3.79136740 -3.16014660 1.88872086 L<br /> H-HW-0.423800 0 -3.82220797 -2.37463058 1.22920675 L<br /> H-HW-0.423800 0 -4.72346956 -3.43258399 2.04504453 L<br /> O-OW--0.847600 0 -0.05332830 5.17293005 -2.62027162 L<br /> H-HW-0.423800 0 -1.04665234 5.08408816 -2.53325120 L<br /> H-HW-0.423800 0 0.26914823 4.46882731 -3.27838147 L<br /> O-OW--0.847600 0 1.96530067 -1.12975711 5.92766806 L<br /> H-HW-0.423800 0 2.13187580 -1.46550141 4.91366037 L<br /> H-HW-0.423800 0 1.03097963 -1.35565533 6.10178085 L<br /> O-OW--0.847600 0 4.87048460 1.41771674 -3.35630932 L<br /> H-HW-0.423800 0 5.43334848 1.87198187 -2.64889583 L<br /> H-HW-0.423800 0 4.02992477 1.02265590 -2.89918480 L<br /> O-OW--0.847600 0 -4.30979537 0.03115515 -2.36039196 L<br /> H-HW-0.423800 0 -4.94228341 0.87811472 -2.46496555 L<br /> H-HW-0.423800 0 -4.78898651 -0.75763020 -2.85020923 L<br /> O-OW--0.847600 0 5.35899322 -3.43204090 0.73861728 L<br /> H-HW-0.423800 0 4.79554562 -4.14684764 1.23026341 L<br /> H-HW-0.423800 0 6.04605274 -3.95498834 0.16323939 L<br /> O-OW--0.847600 0 3.16882416 3.14969257 4.25063400 L<br /> H-HW-0.423800 0 2.95532920 2.57234472 3.43529320 L<br /> H-HW-0.423800 0 3.04584297 4.14266981 3.91376106 L<br /> O-OW--0.847600 0 3.27948080 -5.16714298 1.69901926 L<br /> H-HW-0.423800 0 2.68631024 -4.74505979 0.98631060 L<br /> H-HW-0.423800 0 2.69838845 -5.95107243 2.06043996 L<br /> O-OW--0.847600 0 -1.23607274 2.60022378 -4.28824141 L<br /> H-HW-0.423800 0 -1.36968510 1.68064847 -3.90529225 L<br /> H-HW-0.423800 0 -0.21438016 2.78286215 -4.28590581 L<br /> O-OW--0.847600 0 1.36801994 3.39197449 -4.39578410 L<br /> H-HW-0.423800 0 1.89606292 3.44271062 -3.52170221 L<br /> H-HW-0.423800 0 2.01846091 3.30008448 -5.16935051 L<br /> O-OW--0.847600 0 1.61355606 -2.40592290 -3.98747917 L<br /> H-HW-0.423800 0 0.87336650 -2.63408396 -3.27166558 L<br /> H-HW-0.423800 0 2.40492124 -2.90639136 -3.61971395 L<br /> O-OW--0.847600 0 5.17914692 2.14279412 1.04921962 L<br /> H-HW-0.423800 0 4.51208728 1.55811859 1.69499597 L<br /> H-HW-0.423800 0 4.79453093 3.05702789 1.00916819 L<br /> O-OW--0.847600 0 -4.79851239 -0.03227942 3.70741132 L<br /> H-HW-0.423800 0 -4.73945444 0.27002293 4.68870800 L<br /> H-HW-0.423800 0 -3.90573817 -0.46172618 3.47416608 L<br /> O-OW--0.847600 0 -0.61933272 -2.71855519 5.89241093 L<br /> H-HW-0.423800 0 -0.72454676 -2.98041195 4.95310793 L<br /> H-HW-0.423800 0 -1.50983193 -2.27391277 6.06907574 L<br /> O-OW--0.847600 0 -2.61813265 2.99849925 2.41190720 L<br /> 1 2 1.0 3 2.0 4 2.0 5 2.0<br /> 2 6 1.0<br /> 3<br /> 4<br /> 5<br /> 6<br /> 7 8 1.0 9 1.0<br /> 8<br /> 9<br /> 10 11 1.0 12 1.0<br /> 11<br /> 12<br /> 13 14 1.0 15 1.0<br /> 14<br /> 15<br /> 16 17 1.0 18 1.0<br /> 17<br /> 18<br /> 19 20 1.0 21 1.0<br /> 20<br /> 21<br /> 22 23 1.0 24 1.0<br /> 23<br /> 24<br /> 25 26 1.0 27 1.0<br /> 26<br /> 27<br /> 28 29 1.0 30 1.0<br /> 29<br /> 30<br /> 31 32 1.0 33 1.0<br /> 32<br /> 33<br /> 34 35 1.0 36 1.0<br /> 35<br /> 36<br /> 37 38 1.0 39 1.0<br /> 38<br /> 39<br /> 40 41 1.0 42 1.0<br /> 41<br /> 42<br /> 43 44 1.0 45 1.0<br /> 44<br /> 45<br /> 46 47 1.0 48 1.0<br /> 47<br /> 48<br /> 49 50 1.0 51 1.0<br /> 50<br /> 51<br /> 52 53 1.0 54 1.0<br /> 53<br /> 54<br /> 55 56 1.0 57 1.0<br /> 56<br /> 57<br /> 58 59 1.0 60 1.0<br /> 59<br /> 60<br /> 61 62 1.0 63 1.0<br /> 62<br /> 63<br /> 64 65 1.0 66 1.0<br /> 65<br /> 66<br /> 67 68 1.0 69 1.0<br /> 68<br /> 69<br /> 70 71 1.0 72 1.0<br /> 71<br /> 72<br /> 73 74 1.0 75 1.0<br /> 74<br /> 75<br /> 76 77 1.0 78 1.0<br /> 77<br /> 78<br /> 79 80 1.0 81 1.0<br /> 80<br /> 81<br /> 82 83 1.0 84 1.0<br /> 83<br /> 84<br /> 85 86 1.0 87 1.0<br /> 86<br /> 87<br /> 88 89 1.0 90 1.0<br /> 89<br /> 90<br /> 91 92 1.0 93 1.0<br /> 92<br /> 93<br /> 94 95 1.0 96 1.0<br /> 95<br /> 96<br /> 97 98 1.0 99 1.0<br /> 98<br /> 99<br /> 100 101 1.0 102 1.0<br /> 101<br /> 102<br /> 103 104 1.0 105 1.0<br /> 104<br /> 105<br /> 106 107 1.0 108 1.0<br /> 107<br /> 108<br /> 109 110 1.0 111 1.0<br /> 110<br /> 111<br /> 112 113 1.0 114 1.0<br /> 113<br /> 114<br /> 115 116 1.0 117 1.0<br /> 116<br /> 117<br /> 118 119 1.0 120 1.0<br /> 119<br /> 120<br /> 121 122 1.0 123 1.0<br /> 122<br /> 123<br /> 124 125 1.0 126 1.0<br /> 125<br /> 126<br /> 127 128 1.0 129 1.0<br /> 128<br /> 129<br /> VDW OW 1.7769 0.1554<br /> VDW S 1.9924 0.2500<br /> VDW O1 1.8380 0.2062<br /> VDW O2 1.8380 0.2062<br /> VDW O3 1.8380 0.2062<br /> VDW O4 1.8380 0.2062<br /> VDW H 0.0000 0.0000<br /> VDW HW 0.0000 0.0000<br /> NonBon 3 1 0 0 0.0 0.0 0.5 0.0 0.0 -1.0<br /> HrmStr1 S O1 556.477 1.634<br /> HrmStr1 S O2 1252.366 1.438<br /> HrmStr1 S O3 1252.366 1.438<br /> HrmStr1 S O4 1252.366 1.438<br /> HrmStr1 O1 H 1090.129 0.949<br /> HrmStr1 OW HW 1108.570 1.000<br /> HrmBnd1 HW OW HW 91.539 109.40<br /> HrmBnd1 O2 S O3 109.22 114.76<br /> HrmBnd1 O2 S O4 109.22 114.76<br /> HrmBnd1 O3 S O4 109.22 114.76<br /> HrmBnd1 O1 S O2 194.67 103.45<br /> HrmBnd1 O1 S O3 194.67 103.45 <br /> HrmBnd1 O1 S O4 194.67 103.45<br /> HrmBnd1 H O1 S 95.320 106.39<br /> MM2Tors O2 O3 O4 H 0.000000 0.0000000 0.000000</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/basiconiom&diff=326253 2013-03-06T09:39:50Z

<p>Gvl07: /* Basic ONIOM (Mechanical Embedding) */</p> <hr /> <div>=Basic ONIOM (Mechanical Embedding)=<br /> <br /> 1. Sample ONIOM input file<br /> %chk=toy2.chk<br /> %mem=5800MB<br /> %nprocshared=4<br /> #p opt=(calcfc,quadmacro) oniom(b3lyp/6-31+g(d,p):amber=(softonly,print))<br /> nosymm geom=connectivity<br /> '''''' <br /> Test H2O<br /> -1 1 -1 1 -1 1<br /> S-S-1.270000 0 0.10284895 0.02757327 0.05534583 H<br /> O-O1--0.640000 0 0.95090502 -1.05075883 -0.81085201 H<br /> O-O2--0.670000 0 -0.51087811 0.82245133 -0.91214172 H<br /> O-O3--0.670000 0 -0.81851250 -0.72427103 0.81164058 H<br /> O-O4--0.670000 0 1.11462042 0.79477780 0.80476499 H<br /> H-H-0.380000 0 0.45941997 -1.72717140 -1.30097755 H<br /> O-OW--0.847600 0 3.31669151 0.92337934 2.20457485 L<br /> H-HW-0.423800 0 2.45080557 0.82778355 1.63296313 L<br /> H-HW-0.423800 0 3.48603341 -0.04930496 2.47598596 L<br /> O-OW--0.847600 0 -0.22954592 2.02696219 2.80161775 L<br /> H-HW-0.423800 0 0.26747515 1.48301390 2.11598828 L<br /> H-HW-0.423800 0 0.28064120 1.84302227 3.63593862 L<br /> O-OW--0.847600 0 -2.29924951 -1.45878390 3.35153800 L<br /> H-HW-0.423800 0 -1.87326212 -1.03609584 2.58030291 L<br /> H-HW-0.423800 0 -2.87613390 -2.25478077 3.00874061 L<br /> O-OW--0.847600 0 -3.54879856 -0.88925095 0.08410237 L<br /> H-HW-0.423800 0 -3.87672866 -0.69332912 -0.88175409 L<br /> H-HW-0.423800 0 -2.59079526 -0.54744474 0.17954089 L<br /> O-OW--0.847600 0 -1.83913482 3.22538749 -0.59342039 L<br /> H-HW-0.423800 0 -1.29220416 2.34165819 -0.77772930 L<br /> H-HW-0.423800 0 -1.87947273 3.40788366 0.38849210 L<br /> O-OW--0.847600 0 -0.28045738 -3.12703664 -2.19490573 L<br /> H-HW-0.423800 0 0.08068071 -4.06820600 -2.35482136 L<br /> H-HW-0.423800 0 -1.31072517 -3.35441273 -2.29980667 L<br /> O-OW--0.847600 0 2.37543122 2.81921989 -1.66804655 L<br /> H-HW-0.423800 0 2.58818235 1.94618777 -1.18868481 L<br /> H-HW-0.423800 0 1.72881114 3.25739501 -1.07832183 L<br /> O-OW--0.847600 0 3.11591669 0.24299129 -1.58116804 L<br /> H-HW-0.423800 0 3.97376898 -0.23507194 -1.37416825 L<br /> H-HW-0.423800 0 2.39885963 -0.35034399 -1.06960474 L<br /> O-OW--0.847600 0 0.40050495 -3.04638717 1.40557679 L<br /> H-HW-0.423800 0 -0.10980106 -2.20999055 1.09766318 L<br /> H-HW-0.423800 0 0.81031776 -3.51765847 0.61371410 L<br /> O-OW--0.847600 0 -1.64745773 0.16003978 -3.18188232 L<br /> H-HW-0.423800 0 -1.23948138 0.44264616 -2.25324594 L<br /> H-HW-0.423800 0 -2.62310947 0.05217754 -2.86863471 L<br /> O-OW--0.847600 0 -5.08755345 1.49182027 1.58924908 L<br /> H-HW-0.423800 0 -5.05718425 0.81983890 2.36514831 L<br /> H-HW-0.423800 0 -5.16185625 0.85085664 0.81364159 L<br /> O-OW--0.847600 0 3.26723407 -4.03836556 -3.02872512 L<br /> H-HW-0.423800 0 4.19147258 -3.56273215 -3.22572177 L<br /> H-HW-0.423800 0 3.33695773 -5.00125243 -3.39061107 L<br /> O-OW--0.847600 0 -2.79617222 4.87207773 -2.64701036 L<br /> H-HW-0.423800 0 -2.38699550 4.19042036 -2.02914219 L<br /> H-HW-0.423800 0 -3.79636283 4.89932137 -2.44654765 L<br /> O-OW--0.847600 0 -3.79136740 -3.16014660 1.88872086 L<br /> H-HW-0.423800 0 -3.82220797 -2.37463058 1.22920675 L<br /> H-HW-0.423800 0 -4.72346956 -3.43258399 2.04504453 L<br /> O-OW--0.847600 0 -0.05332830 5.17293005 -2.62027162 L<br /> H-HW-0.423800 0 -1.04665234 5.08408816 -2.53325120 L<br /> H-HW-0.423800 0 0.26914823 4.46882731 -3.27838147 L<br /> O-OW--0.847600 0 1.96530067 -1.12975711 5.92766806 L<br /> H-HW-0.423800 0 2.13187580 -1.46550141 4.91366037 L<br /> H-HW-0.423800 0 1.03097963 -1.35565533 6.10178085 L<br /> O-OW--0.847600 0 4.87048460 1.41771674 -3.35630932 L<br /> H-HW-0.423800 0 5.43334848 1.87198187 -2.64889583 L<br /> H-HW-0.423800 0 4.02992477 1.02265590 -2.89918480 L<br /> O-OW--0.847600 0 -4.30979537 0.03115515 -2.36039196 L<br /> H-HW-0.423800 0 -4.94228341 0.87811472 -2.46496555 L<br /> H-HW-0.423800 0 -4.78898651 -0.75763020 -2.85020923 L<br /> O-OW--0.847600 0 5.35899322 -3.43204090 0.73861728 L<br /> H-HW-0.423800 0 4.79554562 -4.14684764 1.23026341 L<br /> H-HW-0.423800 0 6.04605274 -3.95498834 0.16323939 L<br /> O-OW--0.847600 0 3.16882416 3.14969257 4.25063400 L<br /> H-HW-0.423800 0 2.95532920 2.57234472 3.43529320 L<br /> H-HW-0.423800 0 3.04584297 4.14266981 3.91376106 L<br /> O-OW--0.847600 0 3.27948080 -5.16714298 1.69901926 L<br /> H-HW-0.423800 0 2.68631024 -4.74505979 0.98631060 L<br /> H-HW-0.423800 0 2.69838845 -5.95107243 2.06043996 L<br /> O-OW--0.847600 0 -1.23607274 2.60022378 -4.28824141 L<br /> H-HW-0.423800 0 -1.36968510 1.68064847 -3.90529225 L<br /> H-HW-0.423800 0 -0.21438016 2.78286215 -4.28590581 L<br /> O-OW--0.847600 0 1.36801994 3.39197449 -4.39578410 L<br /> H-HW-0.423800 0 1.89606292 3.44271062 -3.52170221 L<br /> H-HW-0.423800 0 2.01846091 3.30008448 -5.16935051 L<br /> O-OW--0.847600 0 1.61355606 -2.40592290 -3.98747917 L<br /> H-HW-0.423800 0 0.87336650 -2.63408396 -3.27166558 L<br /> H-HW-0.423800 0 2.40492124 -2.90639136 -3.61971395 L<br /> O-OW--0.847600 0 5.17914692 2.14279412 1.04921962 L<br /> H-HW-0.423800 0 4.51208728 1.55811859 1.69499597 L<br /> H-HW-0.423800 0 4.79453093 3.05702789 1.00916819 L<br /> O-OW--0.847600 0 -4.79851239 -0.03227942 3.70741132 L<br /> H-HW-0.423800 0 -4.73945444 0.27002293 4.68870800 L<br /> H-HW-0.423800 0 -3.90573817 -0.46172618 3.47416608 L<br /> O-OW--0.847600 0 -0.61933272 -2.71855519 5.89241093 L<br /> H-HW-0.423800 0 -0.72454676 -2.98041195 4.95310793 L<br /> H-HW-0.423800 0 -1.50983193 -2.27391277 6.06907574 L<br /> O-OW--0.847600 0 -2.61813265 2.99849925 2.41190720 L<br /> H-HW-0.423800 0 4.19147258 -3.56273215 -3.22572177 L<br /> H-HW-0.423800 0 3.33695773 -5.00125243 -3.39061107 L<br /> O-OW--0.847600 0 -2.79617222 4.87207773 -2.64701036 L<br /> H-HW-0.423800 0 -2.38699550 4.19042036 -2.02914219 L<br /> H-HW-0.423800 0 -3.79636283 4.89932137 -2.44654765 L<br /> O-OW--0.847600 0 -3.79136740 -3.16014660 1.88872086 L<br /> H-HW-0.423800 0 -3.82220797 -2.37463058 1.22920675 L<br /> H-HW-0.423800 0 -4.72346956 -3.43258399 2.04504453 L<br /> O-OW--0.847600 0 -0.05332830 5.17293005 -2.62027162 L<br /> H-HW-0.423800 0 -1.04665234 5.08408816 -2.53325120 L<br /> H-HW-0.423800 0 0.26914823 4.46882731 -3.27838147 L<br /> O-OW--0.847600 0 1.96530067 -1.12975711 5.92766806 L<br /> H-HW-0.423800 0 2.13187580 -1.46550141 4.91366037 L<br /> H-HW-0.423800 0 1.03097963 -1.35565533 6.10178085 L<br /> O-OW--0.847600 0 4.87048460 1.41771674 -3.35630932 L<br /> H-HW-0.423800 0 5.43334848 1.87198187 -2.64889583 L<br /> H-HW-0.423800 0 4.02992477 1.02265590 -2.89918480 L<br /> O-OW--0.847600 0 -4.30979537 0.03115515 -2.36039196 L<br /> H-HW-0.423800 0 -4.94228341 0.87811472 -2.46496555 L<br /> H-HW-0.423800 0 -4.78898651 -0.75763020 -2.85020923 L<br /> O-OW--0.847600 0 5.35899322 -3.43204090 0.73861728 L<br /> H-HW-0.423800 0 4.79554562 -4.14684764 1.23026341 L<br /> H-HW-0.423800 0 6.04605274 -3.95498834 0.16323939 L<br /> O-OW--0.847600 0 3.16882416 3.14969257 4.25063400 L<br /> H-HW-0.423800 0 2.95532920 2.57234472 3.43529320 L<br /> H-HW-0.423800 0 3.04584297 4.14266981 3.91376106 L<br /> O-OW--0.847600 0 3.27948080 -5.16714298 1.69901926 L<br /> H-HW-0.423800 0 2.68631024 -4.74505979 0.98631060 L<br /> H-HW-0.423800 0 2.69838845 -5.95107243 2.06043996 L<br /> O-OW--0.847600 0 -1.23607274 2.60022378 -4.28824141 L<br /> H-HW-0.423800 0 -1.36968510 1.68064847 -3.90529225 L<br /> H-HW-0.423800 0 -0.21438016 2.78286215 -4.28590581 L<br /> O-OW--0.847600 0 1.36801994 3.39197449 -4.39578410 L<br /> H-HW-0.423800 0 1.89606292 3.44271062 -3.52170221 L<br /> H-HW-0.423800 0 2.01846091 3.30008448 -5.16935051 L<br /> O-OW--0.847600 0 1.61355606 -2.40592290 -3.98747917 L<br /> H-HW-0.423800 0 0.87336650 -2.63408396 -3.27166558 L<br /> H-HW-0.423800 0 2.40492124 -2.90639136 -3.61971395 L<br /> O-OW--0.847600 0 5.17914692 2.14279412 1.04921962 L<br /> H-HW-0.423800 0 4.51208728 1.55811859 1.69499597 L<br /> H-HW-0.423800 0 4.79453093 3.05702789 1.00916819 L<br /> O-OW--0.847600 0 -4.79851239 -0.03227942 3.70741132 L<br /> H-HW-0.423800 0 -4.73945444 0.27002293 4.68870800 L<br /> H-HW-0.423800 0 -3.90573817 -0.46172618 3.47416608 L<br /> O-OW--0.847600 0 -0.61933272 -2.71855519 5.89241093 L<br /> H-HW-0.423800 0 -0.72454676 -2.98041195 4.95310793 L<br /> H-HW-0.423800 0 -1.50983193 -2.27391277 6.06907574 L<br /> O-OW--0.847600 0 -2.61813265 2.99849925 2.41190720 L<br /> 1 2 1.0 3 2.0 4 2.0 5 2.0<br /> 2 6 1.0<br /> 3<br /> 4<br /> 5<br /> 6<br /> 7 8 1.0 9 1.0<br /> 8<br /> 9<br /> 10 11 1.0 12 1.0<br /> 11<br /> 12<br /> 13 14 1.0 15 1.0<br /> 14<br /> 15<br /> 16 17 1.0 18 1.0<br /> 17<br /> 18<br /> 19 20 1.0 21 1.0<br /> 20<br /> 21<br /> 22 23 1.0 24 1.0<br /> 23<br /> 24<br /> 25 26 1.0 27 1.0<br /> 26<br /> 27<br /> 28 29 1.0 30 1.0<br /> 29<br /> 30<br /> 31 32 1.0 33 1.0<br /> 32<br /> 33<br /> 34 35 1.0 36 1.0<br /> 35<br /> 36<br /> 37 38 1.0 39 1.0<br /> 38<br /> 39<br /> 40 41 1.0 42 1.0<br /> 41<br /> 42<br /> 43 44 1.0 45 1.0<br /> 44<br /> 45<br /> 46 47 1.0 48 1.0<br /> 47<br /> 48<br /> 49 50 1.0 51 1.0<br /> 50<br /> 51<br /> 52 53 1.0 54 1.0<br /> 53<br /> 54<br /> 55 56 1.0 57 1.0<br /> 56<br /> 57<br /> 58 59 1.0 60 1.0<br /> 59<br /> 60<br /> 61 62 1.0 63 1.0<br /> 62<br /> 63<br /> 64 65 1.0 66 1.0<br /> 65<br /> 66<br /> 67 68 1.0 69 1.0<br /> 68<br /> 69<br /> 70 71 1.0 72 1.0<br /> 71<br /> 72<br /> 73 74 1.0 75 1.0<br /> 74<br /> 75<br /> 76 77 1.0 78 1.0<br /> 77<br /> 78<br /> 79 80 1.0 81 1.0<br /> 80<br /> 81<br /> 82 83 1.0 84 1.0<br /> 83<br /> 84<br /> 85 86 1.0 87 1.0<br /> 86<br /> 87<br /> 88 89 1.0 90 1.0<br /> 89<br /> 90<br /> 91 92 1.0 93 1.0<br /> 92<br /> 93<br /> 94 95 1.0 96 1.0<br /> 95<br /> 96<br /> 97 98 1.0 99 1.0<br /> 98<br /> 99<br /> 100 101 1.0 102 1.0<br /> 101<br /> 102<br /> 103 104 1.0 105 1.0<br /> 104<br /> 105<br /> 106 107 1.0 108 1.0<br /> 107<br /> 108<br /> 109 110 1.0 111 1.0<br /> 110<br /> 111<br /> 112 113 1.0 114 1.0<br /> 113<br /> 114<br /> 115 116 1.0 117 1.0<br /> 116<br /> 117<br /> 118 119 1.0 120 1.0<br /> 119<br /> 120<br /> 121 122 1.0 123 1.0<br /> 122<br /> 123<br /> 124 125 1.0 126 1.0<br /> 125<br /> 126<br /> 127 128 1.0 129 1.0<br /> 128<br /> 129<br /> VDW OW 1.7769 0.1554<br /> VDW S 1.9924 0.2500<br /> VDW O1 1.8380 0.2062<br /> VDW O2 1.8380 0.2062<br /> VDW O3 1.8380 0.2062<br /> VDW O4 1.8380 0.2062<br /> VDW H 0.0000 0.0000<br /> VDW HW 0.0000 0.0000<br /> NonBon 3 1 0 0 0.0 0.0 0.5 0.0 0.0 -1.0<br /> HrmStr1 S O1 556.477 1.634<br /> HrmStr1 S O2 1252.366 1.438<br /> HrmStr1 S O3 1252.366 1.438<br /> HrmStr1 S O4 1252.366 1.438<br /> HrmStr1 O1 H 1090.129 0.949<br /> HrmStr1 OW HW 1108.570 1.000<br /> HrmBnd1 HW OW HW 91.539 109.40<br /> HrmBnd1 O2 S O3 109.22 114.76<br /> HrmBnd1 O2 S O4 109.22 114.76<br /> HrmBnd1 O3 S O4 109.22 114.76<br /> HrmBnd1 O1 S O2 194.67 103.45<br /> HrmBnd1 O1 S O3 194.67 103.45 <br /> HrmBnd1 O1 S O4 194.67 103.45<br /> HrmBnd1 H O1 S 95.320 106.39<br /> MM2Tors O2 O3 O4 H 0.000000 0.0000000 0.000000</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/basiconiom&diff=326252 2013-03-06T09:39:19Z

<p>Gvl07: /* Basic ONIOM (Mechanical Embedding) */</p> <hr /> <div>=Basic ONIOM (Mechanical Embedding)=<br /> <br /> 1. Sample ONIOM input file<br /> %chk=toy2.chk<br /> %mem=5800MB<br /> %nprocshared=4<br /> #p opt=(calcfc,quadmacro) oniom(b3lyp/6-31+g(d,p):amber=(softonly,print))<br /> nosymm geom=connectivity<br /> '''''' <br /> Test H2O<br /> -1 1 -1 1 -1 1<br /> S-S-1.270000 0 0.10284895 0.02757327 0.05534583 H<br /> O-O1--0.640000 0 0.95090502 -1.05075883 -0.81085201 H<br /> O-O2--0.670000 0 -0.51087811 0.82245133 -0.91214172 H<br /> O-O3--0.670000 0 -0.81851250 -0.72427103 0.81164058 H<br /> O-O4--0.670000 0 1.11462042 0.79477780 0.80476499 H<br /> H-H-0.380000 0 0.45941997 -1.72717140 -1.30097755 H<br /> O-OW--0.847600 0 3.31669151 0.92337934 2.20457485 L<br /> H-HW-0.423800 0 2.45080557 0.82778355 1.63296313 L<br /> H-HW-0.423800 0 3.48603341 -0.04930496 2.47598596 L<br /> O-OW--0.847600 0 -0.22954592 2.02696219 2.80161775 L<br /> H-HW-0.423800 0 0.26747515 1.48301390 2.11598828 L<br /> H-HW-0.423800 0 0.28064120 1.84302227 3.63593862 L<br /> O-OW--0.847600 0 -2.29924951 -1.45878390 3.35153800 L<br /> H-HW-0.423800 0 -1.87326212 -1.03609584 2.58030291 L<br /> H-HW-0.423800 0 -2.87613390 -2.25478077 3.00874061 L<br /> O-OW--0.847600 0 -3.54879856 -0.88925095 0.08410237 L<br /> H-HW-0.423800 0 -3.87672866 -0.69332912 -0.88175409 L<br /> H-HW-0.423800 0 -2.59079526 -0.54744474 0.17954089 L<br /> O-OW--0.847600 0 -1.83913482 3.22538749 -0.59342039 L<br /> H-HW-0.423800 0 -1.29220416 2.34165819 -0.77772930 L<br /> H-HW-0.423800 0 -1.87947273 3.40788366 0.38849210 L<br /> O-OW--0.847600 0 -0.28045738 -3.12703664 -2.19490573 L<br /> H-HW-0.423800 0 0.08068071 -4.06820600 -2.35482136 L<br /> H-HW-0.423800 0 -1.31072517 -3.35441273 -2.29980667 L<br /> O-OW--0.847600 0 2.37543122 2.81921989 -1.66804655 L<br /> H-HW-0.423800 0 2.58818235 1.94618777 -1.18868481 L<br /> H-HW-0.423800 0 1.72881114 3.25739501 -1.07832183 L<br /> O-OW--0.847600 0 3.11591669 0.24299129 -1.58116804 L<br /> H-HW-0.423800 0 3.97376898 -0.23507194 -1.37416825 L<br /> H-HW-0.423800 0 2.39885963 -0.35034399 -1.06960474 L<br /> O-OW--0.847600 0 0.40050495 -3.04638717 1.40557679 L<br /> H-HW-0.423800 0 -0.10980106 -2.20999055 1.09766318 L<br /> H-HW-0.423800 0 0.81031776 -3.51765847 0.61371410 L<br /> O-OW--0.847600 0 -1.64745773 0.16003978 -3.18188232 L<br /> H-HW-0.423800 0 -1.23948138 0.44264616 -2.25324594 L<br /> H-HW-0.423800 0 -2.62310947 0.05217754 -2.86863471 L<br /> O-OW--0.847600 0 -5.08755345 1.49182027 1.58924908 L<br /> H-HW-0.423800 0 -5.05718425 0.81983890 2.36514831 L<br /> H-HW-0.423800 0 -5.16185625 0.85085664 0.81364159 L<br /> O-OW--0.847600 0 3.26723407 -4.03836556 -3.02872512 L<br /> H-HW-0.423800 0 4.19147258 -3.56273215 -3.22572177 L<br /> H-HW-0.423800 0 3.33695773 -5.00125243 -3.39061107 L<br /> O-OW--0.847600 0 -2.79617222 4.87207773 -2.64701036 L<br /> H-HW-0.423800 0 -2.38699550 4.19042036 -2.02914219 L<br /> H-HW-0.423800 0 -3.79636283 4.89932137 -2.44654765 L<br /> O-OW--0.847600 0 -3.79136740 -3.16014660 1.88872086 L<br /> H-HW-0.423800 0 -3.82220797 -2.37463058 1.22920675 L<br /> H-HW-0.423800 0 -4.72346956 -3.43258399 2.04504453 L<br /> O-OW--0.847600 0 -0.05332830 5.17293005 -2.62027162 L<br /> H-HW-0.423800 0 -1.04665234 5.08408816 -2.53325120 L<br /> H-HW-0.423800 0 0.26914823 4.46882731 -3.27838147 L<br /> O-OW--0.847600 0 1.96530067 -1.12975711 5.92766806 L<br /> H-HW-0.423800 0 2.13187580 -1.46550141 4.91366037 L<br /> H-HW-0.423800 0 1.03097963 -1.35565533 6.10178085 L<br /> O-OW--0.847600 0 4.87048460 1.41771674 -3.35630932 L<br /> H-HW-0.423800 0 5.43334848 1.87198187 -2.64889583 L<br /> H-HW-0.423800 0 4.02992477 1.02265590 -2.89918480 L<br /> O-OW--0.847600 0 -4.30979537 0.03115515 -2.36039196 L<br /> H-HW-0.423800 0 -4.94228341 0.87811472 -2.46496555 L<br /> H-HW-0.423800 0 -4.78898651 -0.75763020 -2.85020923 L<br /> O-OW--0.847600 0 5.35899322 -3.43204090 0.73861728 L<br /> H-HW-0.423800 0 4.79554562 -4.14684764 1.23026341 L<br /> H-HW-0.423800 0 6.04605274 -3.95498834 0.16323939 L<br /> O-OW--0.847600 0 3.16882416 3.14969257 4.25063400 L<br /> H-HW-0.423800 0 2.95532920 2.57234472 3.43529320 L<br /> H-HW-0.423800 0 3.04584297 4.14266981 3.91376106 L<br /> O-OW--0.847600 0 3.27948080 -5.16714298 1.69901926 L<br /> H-HW-0.423800 0 2.68631024 -4.74505979 0.98631060 L<br /> H-HW-0.423800 0 2.69838845 -5.95107243 2.06043996 L<br /> O-OW--0.847600 0 -1.23607274 2.60022378 -4.28824141 L<br /> H-HW-0.423800 0 -1.36968510 1.68064847 -3.90529225 L<br /> H-HW-0.423800 0 -0.21438016 2.78286215 -4.28590581 L<br /> O-OW--0.847600 0 1.36801994 3.39197449 -4.39578410 L<br /> H-HW-0.423800 0 1.89606292 3.44271062 -3.52170221 L<br /> H-HW-0.423800 0 2.01846091 3.30008448 -5.16935051 L<br /> O-OW--0.847600 0 1.61355606 -2.40592290 -3.98747917 L<br /> H-HW-0.423800 0 0.87336650 -2.63408396 -3.27166558 L<br /> H-HW-0.423800 0 2.40492124 -2.90639136 -3.61971395 L<br /> O-OW--0.847600 0 5.17914692 2.14279412 1.04921962 L<br /> H-HW-0.423800 0 4.51208728 1.55811859 1.69499597 L<br /> H-HW-0.423800 0 4.79453093 3.05702789 1.00916819 L<br /> O-OW--0.847600 0 -4.79851239 -0.03227942 3.70741132 L<br /> H-HW-0.423800 0 -4.73945444 0.27002293 4.68870800 L<br /> H-HW-0.423800 0 -3.90573817 -0.46172618 3.47416608 L<br /> O-OW--0.847600 0 -0.61933272 -2.71855519 5.89241093 L<br /> H-HW-0.423800 0 -0.72454676 -2.98041195 4.95310793 L<br /> H-HW-0.423800 0 -1.50983193 -2.27391277 6.06907574 L<br /> O-OW--0.847600 0 -2.61813265 2.99849925 2.41190720 L<br /> H-HW-0.423800 0 4.19147258 -3.56273215 -3.22572177 L<br /> H-HW-0.423800 0 3.33695773 -5.00125243 -3.39061107 L<br /> O-OW--0.847600 0 -2.79617222 4.87207773 -2.64701036 L<br /> H-HW-0.423800 0 -2.38699550 4.19042036 -2.02914219 L<br /> H-HW-0.423800 0 -3.79636283 4.89932137 -2.44654765 L<br /> O-OW--0.847600 0 -3.79136740 -3.16014660 1.88872086 L<br /> H-HW-0.423800 0 -3.82220797 -2.37463058 1.22920675 L<br /> H-HW-0.423800 0 -4.72346956 -3.43258399 2.04504453 L<br /> O-OW--0.847600 0 -0.05332830 5.17293005 -2.62027162 L<br /> H-HW-0.423800 0 -1.04665234 5.08408816 -2.53325120 L<br /> H-HW-0.423800 0 0.26914823 4.46882731 -3.27838147 L<br /> O-OW--0.847600 0 1.96530067 -1.12975711 5.92766806 L<br /> H-HW-0.423800 0 2.13187580 -1.46550141 4.91366037 L<br /> H-HW-0.423800 0 1.03097963 -1.35565533 6.10178085 L<br /> O-OW--0.847600 0 4.87048460 1.41771674 -3.35630932 L<br /> H-HW-0.423800 0 5.43334848 1.87198187 -2.64889583 L<br /> H-HW-0.423800 0 4.02992477 1.02265590 -2.89918480 L<br /> O-OW--0.847600 0 -4.30979537 0.03115515 -2.36039196 L<br /> H-HW-0.423800 0 -4.94228341 0.87811472 -2.46496555 L<br /> H-HW-0.423800 0 -4.78898651 -0.75763020 -2.85020923 L<br /> O-OW--0.847600 0 5.35899322 -3.43204090 0.73861728 L<br /> H-HW-0.423800 0 4.79554562 -4.14684764 1.23026341 L<br /> H-HW-0.423800 0 6.04605274 -3.95498834 0.16323939 L<br /> O-OW--0.847600 0 3.16882416 3.14969257 4.25063400 L<br /> H-HW-0.423800 0 2.95532920 2.57234472 3.43529320 L<br /> H-HW-0.423800 0 3.04584297 4.14266981 3.91376106 L<br /> O-OW--0.847600 0 3.27948080 -5.16714298 1.69901926 L<br /> H-HW-0.423800 0 2.68631024 -4.74505979 0.98631060 L<br /> H-HW-0.423800 0 2.69838845 -5.95107243 2.06043996 L<br /> O-OW--0.847600 0 -1.23607274 2.60022378 -4.28824141 L<br /> H-HW-0.423800 0 -1.36968510 1.68064847 -3.90529225 L<br /> H-HW-0.423800 0 -0.21438016 2.78286215 -4.28590581 L<br /> O-OW--0.847600 0 1.36801994 3.39197449 -4.39578410 L<br /> H-HW-0.423800 0 1.89606292 3.44271062 -3.52170221 L<br /> H-HW-0.423800 0 2.01846091 3.30008448 -5.16935051 L<br /> O-OW--0.847600 0 1.61355606 -2.40592290 -3.98747917 L<br /> H-HW-0.423800 0 0.87336650 -2.63408396 -3.27166558 L<br /> H-HW-0.423800 0 2.40492124 -2.90639136 -3.61971395 L<br /> O-OW--0.847600 0 5.17914692 2.14279412 1.04921962 L<br /> H-HW-0.423800 0 4.51208728 1.55811859 1.69499597 L<br /> H-HW-0.423800 0 4.79453093 3.05702789 1.00916819 L<br /> O-OW--0.847600 0 -4.79851239 -0.03227942 3.70741132 L<br /> H-HW-0.423800 0 -4.73945444 0.27002293 4.68870800 L<br /> H-HW-0.423800 0 -3.90573817 -0.46172618 3.47416608 L<br /> O-OW--0.847600 0 -0.61933272 -2.71855519 5.89241093 L<br /> H-HW-0.423800 0 -0.72454676 -2.98041195 4.95310793 L<br /> H-HW-0.423800 0 -1.50983193 -2.27391277 6.06907574 L<br /> O-OW--0.847600 0 -2.61813265 2.99849925 2.41190720 L<br /> 1 2 1.0 3 2.0 4 2.0 5 2.0<br /> 2 6 1.0<br /> 3<br /> 4<br /> 5<br /> 6<br /> 7 8 1.0 9 1.0<br /> 8<br /> 9<br /> 10 11 1.0 12 1.0<br /> 11<br /> 12<br /> 13 14 1.0 15 1.0<br /> 14<br /> 15<br /> 16 17 1.0 18 1.0<br /> 17<br /> 18<br /> 19 20 1.0 21 1.0<br /> 20<br /> 21<br /> 22 23 1.0 24 1.0<br /> 23<br /> 24<br /> 25 26 1.0 27 1.0<br /> 26<br /> 27<br /> 28 29 1.0 30 1.0<br /> 29<br /> 30<br /> 31 32 1.0 33 1.0<br /> 32<br /> 33<br /> 34 35 1.0 36 1.0<br /> 35<br /> 36<br /> 37 38 1.0 39 1.0<br /> 38<br /> 39<br /> 40 41 1.0 42 1.0<br /> 41<br /> 42<br /> 43 44 1.0 45 1.0<br /> 44<br /> 45<br /> 46 47 1.0 48 1.0<br /> 47<br /> 48<br /> 49 50 1.0 51 1.0<br /> 50<br /> 51<br /> 52 53 1.0 54 1.0<br /> 53<br /> 54<br /> 55 56 1.0 57 1.0<br /> 56<br /> 57<br /> 58 59 1.0 60 1.0<br /> 59<br /> 60<br /> 61 62 1.0 63 1.0<br /> 62<br /> 63<br /> 64 65 1.0 66 1.0<br /> 65<br /> 66<br /> 67 68 1.0 69 1.0<br /> 68<br /> 69<br /> 70 71 1.0 72 1.0<br /> 71<br /> 72<br /> 73 74 1.0 75 1.0<br /> 74<br /> 75<br /> 76 77 1.0 78 1.0<br /> 77<br /> 78<br /> 79 80 1.0 81 1.0<br /> 80<br /> 81<br /> 82 83 1.0 84 1.0<br /> 83<br /> 84<br /> 85 86 1.0 87 1.0<br /> 86<br /> 87<br /> 88 89 1.0 90 1.0<br /> 89<br /> 90<br /> 91 92 1.0 93 1.0<br /> 92<br /> 93<br /> 94 95 1.0 96 1.0<br /> 95<br /> 96<br /> 97 98 1.0 99 1.0<br /> 98<br /> 99<br /> 100 101 1.0 102 1.0<br /> 101<br /> 102<br /> 103 104 1.0 105 1.0<br /> 104<br /> 105<br /> 106 107 1.0 108 1.0<br /> 107<br /> 108<br /> 109 110 1.0 111 1.0<br /> 110<br /> 111<br /> 112 113 1.0 114 1.0<br /> 113<br /> 114<br /> 115 116 1.0 117 1.0<br /> 116<br /> 117<br /> 118 119 1.0 120 1.0<br /> 119<br /> 120<br /> 121 122 1.0 123 1.0<br /> 122<br /> 123<br /> 124 125 1.0 126 1.0<br /> 125<br /> 126<br /> 127 128 1.0 129 1.0<br /> 128<br /> 129<br /> VDW OW 1.7769 0.1554<br /> VDW S 1.9924 0.2500<br /> VDW O1 1.8380 0.2062<br /> VDW O2 1.8380 0.2062<br /> VDW O3 1.8380 0.2062<br /> VDW O4 1.8380 0.2062<br /> VDW H 0.0000 0.0000<br /> VDW HW 0.0000 0.0000<br /> NonBon 3 1 0 0 0.0 0.0 0.5 0.0 0.0 -1.0<br /> HrmStr1 S O1 556.477 1.634<br /> HrmStr1 S O2 1252.366 1.438<br /> HrmStr1 S O3 1252.366 1.438<br /> HrmStr1 S O4 1252.366 1.438<br /> HrmStr1 O1 H 1090.129 0.949<br /> HrmStr1 OW HW 1108.570 1.000<br /> HrmBnd1 HW OW HW 91.539 109.40<br /> HrmBnd1 O2 S O3 109.22 114.76<br /> HrmBnd1 O2 S O4 109.22 114.76<br /> HrmBnd1 O3 S O4 109.22 114.76<br /> HrmBnd1 O1 S O2 194.67 103.45<br /> HrmBnd1 O1 S O3 194.67 103.45 <br /> HrmBnd1 O1 S O4 194.67 103.45<br /> HrmBnd1 H O1 S 95.320 106.39<br /> MM2Tors O2 O3 O4 H 0.000000 0.0000000 0.000000</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/basiconiom&diff=326251 2013-03-06T09:38:36Z

<p>Gvl07: /* Basic ONIOM (Mechanical Embedding) */</p> <hr /> <div>=Basic ONIOM (Mechanical Embedding)=<br /> <br /> 1. Sample ONIOM input file<br /> %chk=toy2.chk<br /> %mem=5800MB<br /> %nprocshared=4<br /> #p opt=(calcfc,quadmacro) oniom(b3lyp/6-31+g(d,p):amber=(softonly,print))<br /> nosymm geom=connectivity<br /> Test H2O<br /> -1 1 -1 1 -1 1<br /> S-S-1.270000 0 0.10284895 0.02757327 0.05534583 H<br /> O-O1--0.640000 0 0.95090502 -1.05075883 -0.81085201 H<br /> O-O2--0.670000 0 -0.51087811 0.82245133 -0.91214172 H<br /> O-O3--0.670000 0 -0.81851250 -0.72427103 0.81164058 H<br /> O-O4--0.670000 0 1.11462042 0.79477780 0.80476499 H<br /> H-H-0.380000 0 0.45941997 -1.72717140 -1.30097755 H<br /> O-OW--0.847600 0 3.31669151 0.92337934 2.20457485 L<br /> H-HW-0.423800 0 2.45080557 0.82778355 1.63296313 L<br /> H-HW-0.423800 0 3.48603341 -0.04930496 2.47598596 L<br /> O-OW--0.847600 0 -0.22954592 2.02696219 2.80161775 L<br /> H-HW-0.423800 0 0.26747515 1.48301390 2.11598828 L<br /> H-HW-0.423800 0 0.28064120 1.84302227 3.63593862 L<br /> O-OW--0.847600 0 -2.29924951 -1.45878390 3.35153800 L<br /> H-HW-0.423800 0 -1.87326212 -1.03609584 2.58030291 L<br /> H-HW-0.423800 0 -2.87613390 -2.25478077 3.00874061 L<br /> O-OW--0.847600 0 -3.54879856 -0.88925095 0.08410237 L<br /> H-HW-0.423800 0 -3.87672866 -0.69332912 -0.88175409 L<br /> H-HW-0.423800 0 -2.59079526 -0.54744474 0.17954089 L<br /> O-OW--0.847600 0 -1.83913482 3.22538749 -0.59342039 L<br /> H-HW-0.423800 0 -1.29220416 2.34165819 -0.77772930 L<br /> H-HW-0.423800 0 -1.87947273 3.40788366 0.38849210 L<br /> O-OW--0.847600 0 -0.28045738 -3.12703664 -2.19490573 L<br /> H-HW-0.423800 0 0.08068071 -4.06820600 -2.35482136 L<br /> H-HW-0.423800 0 -1.31072517 -3.35441273 -2.29980667 L<br /> O-OW--0.847600 0 2.37543122 2.81921989 -1.66804655 L<br /> H-HW-0.423800 0 2.58818235 1.94618777 -1.18868481 L<br /> H-HW-0.423800 0 1.72881114 3.25739501 -1.07832183 L<br /> O-OW--0.847600 0 3.11591669 0.24299129 -1.58116804 L<br /> H-HW-0.423800 0 3.97376898 -0.23507194 -1.37416825 L<br /> H-HW-0.423800 0 2.39885963 -0.35034399 -1.06960474 L<br /> O-OW--0.847600 0 0.40050495 -3.04638717 1.40557679 L<br /> H-HW-0.423800 0 -0.10980106 -2.20999055 1.09766318 L<br /> H-HW-0.423800 0 0.81031776 -3.51765847 0.61371410 L<br /> O-OW--0.847600 0 -1.64745773 0.16003978 -3.18188232 L<br /> H-HW-0.423800 0 -1.23948138 0.44264616 -2.25324594 L<br /> H-HW-0.423800 0 -2.62310947 0.05217754 -2.86863471 L<br /> O-OW--0.847600 0 -5.08755345 1.49182027 1.58924908 L<br /> H-HW-0.423800 0 -5.05718425 0.81983890 2.36514831 L<br /> H-HW-0.423800 0 -5.16185625 0.85085664 0.81364159 L<br /> O-OW--0.847600 0 3.26723407 -4.03836556 -3.02872512 L<br /> H-HW-0.423800 0 4.19147258 -3.56273215 -3.22572177 L<br /> H-HW-0.423800 0 3.33695773 -5.00125243 -3.39061107 L<br /> O-OW--0.847600 0 -2.79617222 4.87207773 -2.64701036 L<br /> H-HW-0.423800 0 -2.38699550 4.19042036 -2.02914219 L<br /> H-HW-0.423800 0 -3.79636283 4.89932137 -2.44654765 L<br /> O-OW--0.847600 0 -3.79136740 -3.16014660 1.88872086 L<br /> H-HW-0.423800 0 -3.82220797 -2.37463058 1.22920675 L<br /> H-HW-0.423800 0 -4.72346956 -3.43258399 2.04504453 L<br /> O-OW--0.847600 0 -0.05332830 5.17293005 -2.62027162 L<br /> H-HW-0.423800 0 -1.04665234 5.08408816 -2.53325120 L<br /> H-HW-0.423800 0 0.26914823 4.46882731 -3.27838147 L<br /> O-OW--0.847600 0 1.96530067 -1.12975711 5.92766806 L<br /> H-HW-0.423800 0 2.13187580 -1.46550141 4.91366037 L<br /> H-HW-0.423800 0 1.03097963 -1.35565533 6.10178085 L<br /> O-OW--0.847600 0 4.87048460 1.41771674 -3.35630932 L<br /> H-HW-0.423800 0 5.43334848 1.87198187 -2.64889583 L<br /> H-HW-0.423800 0 4.02992477 1.02265590 -2.89918480 L<br /> O-OW--0.847600 0 -4.30979537 0.03115515 -2.36039196 L<br /> H-HW-0.423800 0 -4.94228341 0.87811472 -2.46496555 L<br /> H-HW-0.423800 0 -4.78898651 -0.75763020 -2.85020923 L<br /> O-OW--0.847600 0 5.35899322 -3.43204090 0.73861728 L<br /> H-HW-0.423800 0 4.79554562 -4.14684764 1.23026341 L<br /> H-HW-0.423800 0 6.04605274 -3.95498834 0.16323939 L<br /> O-OW--0.847600 0 3.16882416 3.14969257 4.25063400 L<br /> H-HW-0.423800 0 2.95532920 2.57234472 3.43529320 L<br /> H-HW-0.423800 0 3.04584297 4.14266981 3.91376106 L<br /> O-OW--0.847600 0 3.27948080 -5.16714298 1.69901926 L<br /> H-HW-0.423800 0 2.68631024 -4.74505979 0.98631060 L<br /> H-HW-0.423800 0 2.69838845 -5.95107243 2.06043996 L<br /> O-OW--0.847600 0 -1.23607274 2.60022378 -4.28824141 L<br /> H-HW-0.423800 0 -1.36968510 1.68064847 -3.90529225 L<br /> H-HW-0.423800 0 -0.21438016 2.78286215 -4.28590581 L<br /> O-OW--0.847600 0 1.36801994 3.39197449 -4.39578410 L<br /> H-HW-0.423800 0 1.89606292 3.44271062 -3.52170221 L<br /> H-HW-0.423800 0 2.01846091 3.30008448 -5.16935051 L<br /> O-OW--0.847600 0 1.61355606 -2.40592290 -3.98747917 L<br /> H-HW-0.423800 0 0.87336650 -2.63408396 -3.27166558 L<br /> H-HW-0.423800 0 2.40492124 -2.90639136 -3.61971395 L<br /> O-OW--0.847600 0 5.17914692 2.14279412 1.04921962 L<br /> H-HW-0.423800 0 4.51208728 1.55811859 1.69499597 L<br /> H-HW-0.423800 0 4.79453093 3.05702789 1.00916819 L<br /> O-OW--0.847600 0 -4.79851239 -0.03227942 3.70741132 L<br /> H-HW-0.423800 0 -4.73945444 0.27002293 4.68870800 L<br /> H-HW-0.423800 0 -3.90573817 -0.46172618 3.47416608 L<br /> O-OW--0.847600 0 -0.61933272 -2.71855519 5.89241093 L<br /> H-HW-0.423800 0 -0.72454676 -2.98041195 4.95310793 L<br /> H-HW-0.423800 0 -1.50983193 -2.27391277 6.06907574 L<br /> O-OW--0.847600 0 -2.61813265 2.99849925 2.41190720 L<br /> H-HW-0.423800 0 4.19147258 -3.56273215 -3.22572177 L<br /> H-HW-0.423800 0 3.33695773 -5.00125243 -3.39061107 L<br /> O-OW--0.847600 0 -2.79617222 4.87207773 -2.64701036 L<br /> H-HW-0.423800 0 -2.38699550 4.19042036 -2.02914219 L<br /> H-HW-0.423800 0 -3.79636283 4.89932137 -2.44654765 L<br /> O-OW--0.847600 0 -3.79136740 -3.16014660 1.88872086 L<br /> H-HW-0.423800 0 -3.82220797 -2.37463058 1.22920675 L<br /> H-HW-0.423800 0 -4.72346956 -3.43258399 2.04504453 L<br /> O-OW--0.847600 0 -0.05332830 5.17293005 -2.62027162 L<br /> H-HW-0.423800 0 -1.04665234 5.08408816 -2.53325120 L<br /> H-HW-0.423800 0 0.26914823 4.46882731 -3.27838147 L<br /> O-OW--0.847600 0 1.96530067 -1.12975711 5.92766806 L<br /> H-HW-0.423800 0 2.13187580 -1.46550141 4.91366037 L<br /> H-HW-0.423800 0 1.03097963 -1.35565533 6.10178085 L<br /> O-OW--0.847600 0 4.87048460 1.41771674 -3.35630932 L<br /> H-HW-0.423800 0 5.43334848 1.87198187 -2.64889583 L<br /> H-HW-0.423800 0 4.02992477 1.02265590 -2.89918480 L<br /> O-OW--0.847600 0 -4.30979537 0.03115515 -2.36039196 L<br /> H-HW-0.423800 0 -4.94228341 0.87811472 -2.46496555 L<br /> H-HW-0.423800 0 -4.78898651 -0.75763020 -2.85020923 L<br /> O-OW--0.847600 0 5.35899322 -3.43204090 0.73861728 L<br /> H-HW-0.423800 0 4.79554562 -4.14684764 1.23026341 L<br /> H-HW-0.423800 0 6.04605274 -3.95498834 0.16323939 L<br /> O-OW--0.847600 0 3.16882416 3.14969257 4.25063400 L<br /> H-HW-0.423800 0 2.95532920 2.57234472 3.43529320 L<br /> H-HW-0.423800 0 3.04584297 4.14266981 3.91376106 L<br /> O-OW--0.847600 0 3.27948080 -5.16714298 1.69901926 L<br /> H-HW-0.423800 0 2.68631024 -4.74505979 0.98631060 L<br /> H-HW-0.423800 0 2.69838845 -5.95107243 2.06043996 L<br /> O-OW--0.847600 0 -1.23607274 2.60022378 -4.28824141 L<br /> H-HW-0.423800 0 -1.36968510 1.68064847 -3.90529225 L<br /> H-HW-0.423800 0 -0.21438016 2.78286215 -4.28590581 L<br /> O-OW--0.847600 0 1.36801994 3.39197449 -4.39578410 L<br /> H-HW-0.423800 0 1.89606292 3.44271062 -3.52170221 L<br /> H-HW-0.423800 0 2.01846091 3.30008448 -5.16935051 L<br /> O-OW--0.847600 0 1.61355606 -2.40592290 -3.98747917 L<br /> H-HW-0.423800 0 0.87336650 -2.63408396 -3.27166558 L<br /> H-HW-0.423800 0 2.40492124 -2.90639136 -3.61971395 L<br /> O-OW--0.847600 0 5.17914692 2.14279412 1.04921962 L<br /> H-HW-0.423800 0 4.51208728 1.55811859 1.69499597 L<br /> H-HW-0.423800 0 4.79453093 3.05702789 1.00916819 L<br /> O-OW--0.847600 0 -4.79851239 -0.03227942 3.70741132 L<br /> H-HW-0.423800 0 -4.73945444 0.27002293 4.68870800 L<br /> H-HW-0.423800 0 -3.90573817 -0.46172618 3.47416608 L<br /> O-OW--0.847600 0 -0.61933272 -2.71855519 5.89241093 L<br /> H-HW-0.423800 0 -0.72454676 -2.98041195 4.95310793 L<br /> H-HW-0.423800 0 -1.50983193 -2.27391277 6.06907574 L<br /> O-OW--0.847600 0 -2.61813265 2.99849925 2.41190720 L<br /> 1 2 1.0 3 2.0 4 2.0 5 2.0<br /> 2 6 1.0<br /> 3<br /> 4<br /> 5<br /> 6<br /> 7 8 1.0 9 1.0<br /> 8<br /> 9<br /> 10 11 1.0 12 1.0<br /> 11<br /> 12<br /> 13 14 1.0 15 1.0<br /> 14<br /> 15<br /> 16 17 1.0 18 1.0<br /> 17<br /> 18<br /> 19 20 1.0 21 1.0<br /> 20<br /> 21<br /> 22 23 1.0 24 1.0<br /> 23<br /> 24<br /> 25 26 1.0 27 1.0<br /> 26<br /> 27<br /> 28 29 1.0 30 1.0<br /> 29<br /> 30<br /> 31 32 1.0 33 1.0<br /> 32<br /> 33<br /> 34 35 1.0 36 1.0<br /> 35<br /> 36<br /> 37 38 1.0 39 1.0<br /> 38<br /> 39<br /> 40 41 1.0 42 1.0<br /> 41<br /> 42<br /> 43 44 1.0 45 1.0<br /> 44<br /> 45<br /> 46 47 1.0 48 1.0<br /> 47<br /> 48<br /> 49 50 1.0 51 1.0<br /> 50<br /> 51<br /> 52 53 1.0 54 1.0<br /> 53<br /> 54<br /> 55 56 1.0 57 1.0<br /> 56<br /> 57<br /> 58 59 1.0 60 1.0<br /> 59<br /> 60<br /> 61 62 1.0 63 1.0<br /> 62<br /> 63<br /> 64 65 1.0 66 1.0<br /> 65<br /> 66<br /> 67 68 1.0 69 1.0<br /> 68<br /> 69<br /> 70 71 1.0 72 1.0<br /> 71<br /> 72<br /> 73 74 1.0 75 1.0<br /> 74<br /> 75<br /> 76 77 1.0 78 1.0<br /> 77<br /> 78<br /> 79 80 1.0 81 1.0<br /> 80<br /> 81<br /> 82 83 1.0 84 1.0<br /> 83<br /> 84<br /> 85 86 1.0 87 1.0<br /> 86<br /> 87<br /> 88 89 1.0 90 1.0<br /> 89<br /> 90<br /> 91 92 1.0 93 1.0<br /> 92<br /> 93<br /> 94 95 1.0 96 1.0<br /> 95<br /> 96<br /> 97 98 1.0 99 1.0<br /> 98<br /> 99<br /> 100 101 1.0 102 1.0<br /> 101<br /> 102<br /> 103 104 1.0 105 1.0<br /> 104<br /> 105<br /> 106 107 1.0 108 1.0<br /> 107<br /> 108<br /> 109 110 1.0 111 1.0<br /> 110<br /> 111<br /> 112 113 1.0 114 1.0<br /> 113<br /> 114<br /> 115 116 1.0 117 1.0<br /> 116<br /> 117<br /> 118 119 1.0 120 1.0<br /> 119<br /> 120<br /> 121 122 1.0 123 1.0<br /> 122<br /> 123<br /> 124 125 1.0 126 1.0<br /> 125<br /> 126<br /> 127 128 1.0 129 1.0<br /> 128<br /> 129<br /> VDW OW 1.7769 0.1554<br /> VDW S 1.9924 0.2500<br /> VDW O1 1.8380 0.2062<br /> VDW O2 1.8380 0.2062<br /> VDW O3 1.8380 0.2062<br /> VDW O4 1.8380 0.2062<br /> VDW H 0.0000 0.0000<br /> VDW HW 0.0000 0.0000<br /> NonBon 3 1 0 0 0.0 0.0 0.5 0.0 0.0 -1.0<br /> HrmStr1 S O1 556.477 1.634<br /> HrmStr1 S O2 1252.366 1.438<br /> HrmStr1 S O3 1252.366 1.438<br /> HrmStr1 S O4 1252.366 1.438<br /> HrmStr1 O1 H 1090.129 0.949<br /> HrmStr1 OW HW 1108.570 1.000<br /> HrmBnd1 HW OW HW 91.539 109.40<br /> HrmBnd1 O2 S O3 109.22 114.76<br /> HrmBnd1 O2 S O4 109.22 114.76<br /> HrmBnd1 O3 S O4 109.22 114.76<br /> HrmBnd1 O1 S O2 194.67 103.45<br /> HrmBnd1 O1 S O3 194.67 103.45 <br /> HrmBnd1 O1 S O4 194.67 103.45<br /> HrmBnd1 H O1 S 95.320 106.39<br /> MM2Tors O2 O3 O4 H 0.000000 0.0000000 0.000000</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/basiconiom&diff=326250 2013-03-06T09:37:56Z

<p>Gvl07: /* Basic ONIOM (Mechanical Embedding) */</p> <hr /> <div>=Basic ONIOM (Mechanical Embedding)=<br /> <br /> 1. Sample ONIOM input file<br /> %chk=toy2.chk<br /> %mem=5800MB<br /> %nprocshared=4<br /> #p opt=(calcfc,quadmacro) oniom(b3lyp/6-31+g(d,p):amber=(softonly,print))<br /> nosymm geom=connectivity<br /> Test H2O<br /> -1 1 -1 1 -1 1<br /> S-S-1.270000 0 0.10284895 0.02757327 0.05534583 H<br /> O-O1--0.640000 0 0.95090502 -1.05075883 -0.81085201 H<br /> O-O2--0.670000 0 -0.51087811 0.82245133 -0.91214172 H<br /> O-O3--0.670000 0 -0.81851250 -0.72427103 0.81164058 H<br /> O-O4--0.670000 0 1.11462042 0.79477780 0.80476499 H<br /> H-H-0.380000 0 0.45941997 -1.72717140 -1.30097755 H<br /> O-OW--0.847600 0 3.31669151 0.92337934 2.20457485 L<br /> H-HW-0.423800 0 2.45080557 0.82778355 1.63296313 L<br /> H-HW-0.423800 0 3.48603341 -0.04930496 2.47598596 L<br /> O-OW--0.847600 0 -0.22954592 2.02696219 2.80161775 L<br /> H-HW-0.423800 0 0.26747515 1.48301390 2.11598828 L<br /> H-HW-0.423800 0 0.28064120 1.84302227 3.63593862 L<br /> O-OW--0.847600 0 -2.29924951 -1.45878390 3.35153800 L<br /> H-HW-0.423800 0 -1.87326212 -1.03609584 2.58030291 L<br /> H-HW-0.423800 0 -2.87613390 -2.25478077 3.00874061 L<br /> O-OW--0.847600 0 -3.54879856 -0.88925095 0.08410237 L<br /> H-HW-0.423800 0 -3.87672866 -0.69332912 -0.88175409 L<br /> H-HW-0.423800 0 -2.59079526 -0.54744474 0.17954089 L<br /> O-OW--0.847600 0 -1.83913482 3.22538749 -0.59342039 L<br /> H-HW-0.423800 0 -1.29220416 2.34165819 -0.77772930 L<br /> H-HW-0.423800 0 -1.87947273 3.40788366 0.38849210 L<br /> O-OW--0.847600 0 -0.28045738 -3.12703664 -2.19490573 L<br /> H-HW-0.423800 0 0.08068071 -4.06820600 -2.35482136 L<br /> H-HW-0.423800 0 -1.31072517 -3.35441273 -2.29980667 L<br /> O-OW--0.847600 0 2.37543122 2.81921989 -1.66804655 L<br /> H-HW-0.423800 0 2.58818235 1.94618777 -1.18868481 L<br /> H-HW-0.423800 0 1.72881114 3.25739501 -1.07832183 L<br /> O-OW--0.847600 0 3.11591669 0.24299129 -1.58116804 L<br /> H-HW-0.423800 0 3.97376898 -0.23507194 -1.37416825 L<br /> H-HW-0.423800 0 2.39885963 -0.35034399 -1.06960474 L<br /> O-OW--0.847600 0 0.40050495 -3.04638717 1.40557679 L<br /> H-HW-0.423800 0 -0.10980106 -2.20999055 1.09766318 L<br /> H-HW-0.423800 0 0.81031776 -3.51765847 0.61371410 L<br /> O-OW--0.847600 0 -1.64745773 0.16003978 -3.18188232 L<br /> H-HW-0.423800 0 -1.23948138 0.44264616 -2.25324594 L<br /> H-HW-0.423800 0 -2.62310947 0.05217754 -2.86863471 L<br /> O-OW--0.847600 0 -5.08755345 1.49182027 1.58924908 L<br /> H-HW-0.423800 0 -5.05718425 0.81983890 2.36514831 L<br /> H-HW-0.423800 0 -5.16185625 0.85085664 0.81364159 L<br /> O-OW--0.847600 0 3.26723407 -4.03836556 -3.02872512 L<br /> H-HW-0.423800 0 4.19147258 -3.56273215 -3.22572177 L<br /> H-HW-0.423800 0 3.33695773 -5.00125243 -3.39061107 L<br /> O-OW--0.847600 0 -2.79617222 4.87207773 -2.64701036 L<br /> H-HW-0.423800 0 -2.38699550 4.19042036 -2.02914219 L<br /> H-HW-0.423800 0 -3.79636283 4.89932137 -2.44654765 L<br /> O-OW--0.847600 0 -3.79136740 -3.16014660 1.88872086 L<br /> H-HW-0.423800 0 -3.82220797 -2.37463058 1.22920675 L<br /> H-HW-0.423800 0 -4.72346956 -3.43258399 2.04504453 L<br /> O-OW--0.847600 0 -0.05332830 5.17293005 -2.62027162 L<br /> H-HW-0.423800 0 -1.04665234 5.08408816 -2.53325120 L<br /> H-HW-0.423800 0 0.26914823 4.46882731 -3.27838147 L<br /> O-OW--0.847600 0 1.96530067 -1.12975711 5.92766806 L<br /> H-HW-0.423800 0 2.13187580 -1.46550141 4.91366037 L<br /> H-HW-0.423800 0 1.03097963 -1.35565533 6.10178085 L<br /> O-OW--0.847600 0 4.87048460 1.41771674 -3.35630932 L<br /> H-HW-0.423800 0 5.43334848 1.87198187 -2.64889583 L<br /> H-HW-0.423800 0 4.02992477 1.02265590 -2.89918480 L<br /> O-OW--0.847600 0 -4.30979537 0.03115515 -2.36039196 L<br /> H-HW-0.423800 0 -4.94228341 0.87811472 -2.46496555 L<br /> H-HW-0.423800 0 -4.78898651 -0.75763020 -2.85020923 L<br /> O-OW--0.847600 0 5.35899322 -3.43204090 0.73861728 L<br /> H-HW-0.423800 0 4.79554562 -4.14684764 1.23026341 L<br /> H-HW-0.423800 0 6.04605274 -3.95498834 0.16323939 L<br /> O-OW--0.847600 0 3.16882416 3.14969257 4.25063400 L<br /> H-HW-0.423800 0 2.95532920 2.57234472 3.43529320 L<br /> H-HW-0.423800 0 3.04584297 4.14266981 3.91376106 L<br /> O-OW--0.847600 0 3.27948080 -5.16714298 1.69901926 L<br /> H-HW-0.423800 0 2.68631024 -4.74505979 0.98631060 L<br /> H-HW-0.423800 0 2.69838845 -5.95107243 2.06043996 L<br /> O-OW--0.847600 0 -1.23607274 2.60022378 -4.28824141 L<br /> H-HW-0.423800 0 -1.36968510 1.68064847 -3.90529225 L<br /> H-HW-0.423800 0 -0.21438016 2.78286215 -4.28590581 L<br /> O-OW--0.847600 0 1.36801994 3.39197449 -4.39578410 L<br /> H-HW-0.423800 0 1.89606292 3.44271062 -3.52170221 L<br /> H-HW-0.423800 0 2.01846091 3.30008448 -5.16935051 L<br /> O-OW--0.847600 0 1.61355606 -2.40592290 -3.98747917 L<br /> H-HW-0.423800 0 0.87336650 -2.63408396 -3.27166558 L<br /> H-HW-0.423800 0 2.40492124 -2.90639136 -3.61971395 L<br /> O-OW--0.847600 0 5.17914692 2.14279412 1.04921962 L<br /> H-HW-0.423800 0 4.51208728 1.55811859 1.69499597 L<br /> H-HW-0.423800 0 4.79453093 3.05702789 1.00916819 L<br /> O-OW--0.847600 0 -4.79851239 -0.03227942 3.70741132 L<br /> H-HW-0.423800 0 -4.73945444 0.27002293 4.68870800 L<br /> H-HW-0.423800 0 -3.90573817 -0.46172618 3.47416608 L<br /> O-OW--0.847600 0 -0.61933272 -2.71855519 5.89241093 L<br /> H-HW-0.423800 0 -0.72454676 -2.98041195 4.95310793 L<br /> H-HW-0.423800 0 -1.50983193 -2.27391277 6.06907574 L<br /> O-OW--0.847600 0 -2.61813265 2.99849925 2.41190720 L<br /> H-HW-0.423800 0 4.19147258 -3.56273215 -3.22572177 L<br /> H-HW-0.423800 0 3.33695773 -5.00125243 -3.39061107 L<br /> O-OW--0.847600 0 -2.79617222 4.87207773 -2.64701036 L<br /> H-HW-0.423800 0 -2.38699550 4.19042036 -2.02914219 L<br /> H-HW-0.423800 0 -3.79636283 4.89932137 -2.44654765 L<br /> O-OW--0.847600 0 -3.79136740 -3.16014660 1.88872086 L<br /> H-HW-0.423800 0 -3.82220797 -2.37463058 1.22920675 L<br /> H-HW-0.423800 0 -4.72346956 -3.43258399 2.04504453 L<br /> O-OW--0.847600 0 -0.05332830 5.17293005 -2.62027162 L<br /> H-HW-0.423800 0 -1.04665234 5.08408816 -2.53325120 L<br /> H-HW-0.423800 0 0.26914823 4.46882731 -3.27838147 L<br /> O-OW--0.847600 0 1.96530067 -1.12975711 5.92766806 L<br /> H-HW-0.423800 0 2.13187580 -1.46550141 4.91366037 L<br /> H-HW-0.423800 0 1.03097963 -1.35565533 6.10178085 L<br /> O-OW--0.847600 0 4.87048460 1.41771674 -3.35630932 L<br /> H-HW-0.423800 0 5.43334848 1.87198187 -2.64889583 L<br /> H-HW-0.423800 0 4.02992477 1.02265590 -2.89918480 L<br /> O-OW--0.847600 0 -4.30979537 0.03115515 -2.36039196 L<br /> H-HW-0.423800 0 -4.94228341 0.87811472 -2.46496555 L<br /> H-HW-0.423800 0 -4.78898651 -0.75763020 -2.85020923 L<br /> O-OW--0.847600 0 5.35899322 -3.43204090 0.73861728 L<br /> H-HW-0.423800 0 4.79554562 -4.14684764 1.23026341 L<br /> H-HW-0.423800 0 6.04605274 -3.95498834 0.16323939 L<br /> O-OW--0.847600 0 3.16882416 3.14969257 4.25063400 L<br /> H-HW-0.423800 0 2.95532920 2.57234472 3.43529320 L<br /> H-HW-0.423800 0 3.04584297 4.14266981 3.91376106 L<br /> O-OW--0.847600 0 3.27948080 -5.16714298 1.69901926 L<br /> H-HW-0.423800 0 2.68631024 -4.74505979 0.98631060 L<br /> H-HW-0.423800 0 2.69838845 -5.95107243 2.06043996 L<br /> O-OW--0.847600 0 -1.23607274 2.60022378 -4.28824141 L<br /> H-HW-0.423800 0 -1.36968510 1.68064847 -3.90529225 L<br /> H-HW-0.423800 0 -0.21438016 2.78286215 -4.28590581 L<br /> O-OW--0.847600 0 1.36801994 3.39197449 -4.39578410 L<br /> H-HW-0.423800 0 1.89606292 3.44271062 -3.52170221 L<br /> H-HW-0.423800 0 2.01846091 3.30008448 -5.16935051 L<br /> O-OW--0.847600 0 1.61355606 -2.40592290 -3.98747917 L<br /> H-HW-0.423800 0 0.87336650 -2.63408396 -3.27166558 L<br /> H-HW-0.423800 0 2.40492124 -2.90639136 -3.61971395 L<br /> O-OW--0.847600 0 5.17914692 2.14279412 1.04921962 L<br /> H-HW-0.423800 0 4.51208728 1.55811859 1.69499597 L<br /> H-HW-0.423800 0 4.79453093 3.05702789 1.00916819 L<br /> O-OW--0.847600 0 -4.79851239 -0.03227942 3.70741132 L<br /> H-HW-0.423800 0 -4.73945444 0.27002293 4.68870800 L<br /> H-HW-0.423800 0 -3.90573817 -0.46172618 3.47416608 L<br /> O-OW--0.847600 0 -0.61933272 -2.71855519 5.89241093 L<br /> H-HW-0.423800 0 -0.72454676 -2.98041195 4.95310793 L<br /> H-HW-0.423800 0 -1.50983193 -2.27391277 6.06907574 L<br /> O-OW--0.847600 0 -2.61813265 2.99849925 2.41190720 L<br /> 1 2 1.0 3 2.0 4 2.0 5 2.0<br /> 2 6 1.0<br /> 3<br /> 4<br /> 5<br /> 6<br /> 7 8 1.0 9 1.0<br /> 8<br /> 9<br /> 10 11 1.0 12 1.0<br /> 11<br /> 12<br /> 13 14 1.0 15 1.0<br /> 14<br /> 15<br /> 16 17 1.0 18 1.0<br /> 17<br /> 18<br /> 19 20 1.0 21 1.0<br /> 20<br /> 21<br /> 22 23 1.0 24 1.0<br /> 23<br /> 24<br /> 25 26 1.0 27 1.0<br /> 26<br /> 27<br /> 28 29 1.0 30 1.0<br /> 29<br /> 30<br /> 31 32 1.0 33 1.0<br /> 32<br /> 33<br /> 34 35 1.0 36 1.0<br /> 35<br /> 36<br /> 37 38 1.0 39 1.0<br /> 38<br /> 39<br /> 40 41 1.0 42 1.0<br /> 41<br /> 42<br /> 43 44 1.0 45 1.0<br /> 44<br /> 45<br /> 46 47 1.0 48 1.0<br /> 47<br /> 48<br /> 49 50 1.0 51 1.0<br /> 50<br /> 51<br /> 52 53 1.0 54 1.0<br /> 53<br /> 54<br /> 55 56 1.0 57 1.0<br /> 56<br /> 57<br /> 58 59 1.0 60 1.0<br /> 59<br /> 60<br /> 61 62 1.0 63 1.0<br /> 62<br /> 63<br /> 64 65 1.0 66 1.0<br /> 65<br /> 66<br /> 67 68 1.0 69 1.0<br /> 68<br /> 69<br /> 70 71 1.0 72 1.0<br /> 71<br /> 72<br /> 73 74 1.0 75 1.0<br /> 74<br /> 75<br /> 76 77 1.0 78 1.0<br /> 77<br /> 78<br /> 79 80 1.0 81 1.0<br /> 80<br /> 81<br /> 82 83 1.0 84 1.0<br /> 83<br /> 84<br /> 85 86 1.0 87 1.0<br /> 86<br /> 87<br /> 88 89 1.0 90 1.0<br /> 89<br /> 90<br /> 91 92 1.0 93 1.0<br /> 92<br /> 93<br /> 94 95 1.0 96 1.0<br /> 95<br /> 96<br /> 97 98 1.0 99 1.0<br /> 98<br /> 99<br /> 100 101 1.0 102 1.0<br /> 101<br /> 102<br /> 103 104 1.0 105 1.0<br /> 104<br /> 105<br /> 106 107 1.0 108 1.0<br /> 107<br /> 108<br /> 109 110 1.0 111 1.0<br /> 110<br /> 111<br /> 112 113 1.0 114 1.0<br /> 113<br /> 114<br /> 115 116 1.0 117 1.0<br /> 116<br /> 117<br /> 118 119 1.0 120 1.0<br /> 119<br /> 120<br /> 121 122 1.0 123 1.0<br /> 122<br /> 123<br /> 124 125 1.0 126 1.0<br /> 125<br /> 126<br /> 127 128 1.0 129 1.0<br /> 128<br /> 129<br /> VDW OW 1.7769 0.1554<br /> VDW S 1.9924 0.2500<br /> VDW O1 1.8380 0.2062<br /> VDW O2 1.8380 0.2062<br /> VDW O3 1.8380 0.2062<br /> VDW O4 1.8380 0.2062<br /> VDW H 0.0000 0.0000<br /> VDW HW 0.0000 0.0000<br /> NonBon 3 1 0 0 0.0 0.0 0.5 0.0 0.0 -1.0<br /> HrmStr1 S O1 556.477 1.634<br /> HrmStr1 S O2 1252.366 1.438<br /> HrmStr1 S O3 1252.366 1.438<br /> HrmStr1 S O4 1252.366 1.438<br /> HrmStr1 O1 H 1090.129 0.949<br /> HrmStr1 OW HW 1108.570 1.000<br /> HrmBnd1 HW OW HW 91.539 109.40<br /> HrmBnd1 O2 S O3 109.22 114.76<br /> HrmBnd1 O2 S O4 109.22 114.76<br /> HrmBnd1 O3 S O4 109.22 114.76<br /> HrmBnd1 O1 S O2 194.67 103.45<br /> HrmBnd1 O1 S O3 194.67 103.45<br /> HrmBnd1 O1 S O4 194.67 103.45<br /> HrmBnd1 H O1 S 95.320 106.39<br /> MM2Tors O2 O3 O4 H 0.000000 0.0000000 0.000000</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/basiconiom&diff=326249 2013-03-06T09:36:22Z

<p>Gvl07: /* Basic ONIOM (Mechanical Embedding) */</p> <hr /> <div>=Basic ONIOM (Mechanical Embedding)=<br /> <br /> 1. Sample ONIOM input file<br /> %chk=toy2.chk<br /> %mem=5800MB<br /> %nprocshared=4<br /> #p opt=(calcfc,quadmacro) oniom(b3lyp/6-31+g(d,p):amber=(softonly,print))<br /> nosymm geom=connectivity<br /> Test H2O<br /> -1 1 -1 1 -1 1<br /> S-S-1.270000 0 0.10284895 0.02757327 0.05534583 H<br /> O-O1--0.640000 0 0.95090502 -1.05075883 -0.81085201 H<br /> O-O2--0.670000 0 -0.51087811 0.82245133 -0.91214172 H<br /> O-O3--0.670000 0 -0.81851250 -0.72427103 0.81164058 H<br /> O-O4--0.670000 0 1.11462042 0.79477780 0.80476499 H<br /> H-H-0.380000 0 0.45941997 -1.72717140 -1.30097755 H<br /> O-OW--0.847600 0 3.31669151 0.92337934 2.20457485 L<br /> H-HW-0.423800 0 2.45080557 0.82778355 1.63296313 L<br /> H-HW-0.423800 0 3.48603341 -0.04930496 2.47598596 L<br /> O-OW--0.847600 0 -0.22954592 2.02696219 2.80161775 L<br /> H-HW-0.423800 0 0.26747515 1.48301390 2.11598828 L<br /> H-HW-0.423800 0 0.28064120 1.84302227 3.63593862 L<br /> O-OW--0.847600 0 -2.29924951 -1.45878390 3.35153800 L<br /> H-HW-0.423800 0 -1.87326212 -1.03609584 2.58030291 L<br /> H-HW-0.423800 0 -2.87613390 -2.25478077 3.00874061 L<br /> O-OW--0.847600 0 -3.54879856 -0.88925095 0.08410237 L<br /> H-HW-0.423800 0 -3.87672866 -0.69332912 -0.88175409 L<br /> H-HW-0.423800 0 -2.59079526 -0.54744474 0.17954089 L<br /> O-OW--0.847600 0 -1.83913482 3.22538749 -0.59342039 L<br /> H-HW-0.423800 0 -1.29220416 2.34165819 -0.77772930 L<br /> H-HW-0.423800 0 -1.87947273 3.40788366 0.38849210 L<br /> O-OW--0.847600 0 -0.28045738 -3.12703664 -2.19490573 L<br /> H-HW-0.423800 0 0.08068071 -4.06820600 -2.35482136 L<br /> H-HW-0.423800 0 -1.31072517 -3.35441273 -2.29980667 L<br /> O-OW--0.847600 0 2.37543122 2.81921989 -1.66804655 L<br /> H-HW-0.423800 0 2.58818235 1.94618777 -1.18868481 L<br /> H-HW-0.423800 0 1.72881114 3.25739501 -1.07832183 L<br /> O-OW--0.847600 0 3.11591669 0.24299129 -1.58116804 L<br /> H-HW-0.423800 0 3.97376898 -0.23507194 -1.37416825 L<br /> H-HW-0.423800 0 2.39885963 -0.35034399 -1.06960474 L<br /> O-OW--0.847600 0 0.40050495 -3.04638717 1.40557679 L<br /> H-HW-0.423800 0 -0.10980106 -2.20999055 1.09766318 L<br /> H-HW-0.423800 0 0.81031776 -3.51765847 0.61371410 L<br /> O-OW--0.847600 0 -1.64745773 0.16003978 -3.18188232 L<br /> H-HW-0.423800 0 -1.23948138 0.44264616 -2.25324594 L<br /> H-HW-0.423800 0 -2.62310947 0.05217754 -2.86863471 L<br /> O-OW--0.847600 0 -5.08755345 1.49182027 1.58924908 L<br /> H-HW-0.423800 0 -5.05718425 0.81983890 2.36514831 L<br /> H-HW-0.423800 0 -5.16185625 0.85085664 0.81364159 L<br /> O-OW--0.847600 0 3.26723407 -4.03836556 -3.02872512 L<br /> H-HW-0.423800 0 4.19147258 -3.56273215 -3.22572177 L<br /> H-HW-0.423800 0 3.33695773 -5.00125243 -3.39061107 L<br /> O-OW--0.847600 0 -2.79617222 4.87207773 -2.64701036 L<br /> H-HW-0.423800 0 -2.38699550 4.19042036 -2.02914219 L<br /> H-HW-0.423800 0 -3.79636283 4.89932137 -2.44654765 L<br /> O-OW--0.847600 0 -3.79136740 -3.16014660 1.88872086 L<br /> H-HW-0.423800 0 -3.82220797 -2.37463058 1.22920675 L<br /> H-HW-0.423800 0 -4.72346956 -3.43258399 2.04504453 L<br /> O-OW--0.847600 0 -0.05332830 5.17293005 -2.62027162 L<br /> H-HW-0.423800 0 -1.04665234 5.08408816 -2.53325120 L<br /> H-HW-0.423800 0 0.26914823 4.46882731 -3.27838147 L<br /> O-OW--0.847600 0 1.96530067 -1.12975711 5.92766806 L<br /> H-HW-0.423800 0 2.13187580 -1.46550141 4.91366037 L<br /> H-HW-0.423800 0 1.03097963 -1.35565533 6.10178085 L<br /> O-OW--0.847600 0 4.87048460 1.41771674 -3.35630932 L<br /> H-HW-0.423800 0 5.43334848 1.87198187 -2.64889583 L<br /> H-HW-0.423800 0 4.02992477 1.02265590 -2.89918480 L<br /> O-OW--0.847600 0 -4.30979537 0.03115515 -2.36039196 L<br /> H-HW-0.423800 0 -4.94228341 0.87811472 -2.46496555 L<br /> H-HW-0.423800 0 -4.78898651 -0.75763020 -2.85020923 L<br /> O-OW--0.847600 0 5.35899322 -3.43204090 0.73861728 L<br /> H-HW-0.423800 0 4.79554562 -4.14684764 1.23026341 L<br /> H-HW-0.423800 0 6.04605274 -3.95498834 0.16323939 L<br /> O-OW--0.847600 0 3.16882416 3.14969257 4.25063400 L<br /> H-HW-0.423800 0 2.95532920 2.57234472 3.43529320 L<br /> H-HW-0.423800 0 3.04584297 4.14266981 3.91376106 L<br /> O-OW--0.847600 0 3.27948080 -5.16714298 1.69901926 L<br /> H-HW-0.423800 0 2.68631024 -4.74505979 0.98631060 L<br /> H-HW-0.423800 0 2.69838845 -5.95107243 2.06043996 L<br /> O-OW--0.847600 0 -1.23607274 2.60022378 -4.28824141 L<br /> H-HW-0.423800 0 -1.36968510 1.68064847 -3.90529225 L<br /> H-HW-0.423800 0 -0.21438016 2.78286215 -4.28590581 L<br /> O-OW--0.847600 0 1.36801994 3.39197449 -4.39578410 L<br /> H-HW-0.423800 0 1.89606292 3.44271062 -3.52170221 L<br /> H-HW-0.423800 0 2.01846091 3.30008448 -5.16935051 L<br /> O-OW--0.847600 0 1.61355606 -2.40592290 -3.98747917 L<br /> H-HW-0.423800 0 0.87336650 -2.63408396 -3.27166558 L<br /> H-HW-0.423800 0 2.40492124 -2.90639136 -3.61971395 L<br /> O-OW--0.847600 0 5.17914692 2.14279412 1.04921962 L<br /> H-HW-0.423800 0 4.51208728 1.55811859 1.69499597 L<br /> H-HW-0.423800 0 4.79453093 3.05702789 1.00916819 L<br /> O-OW--0.847600 0 -4.79851239 -0.03227942 3.70741132 L<br /> H-HW-0.423800 0 -4.73945444 0.27002293 4.68870800 L<br /> H-HW-0.423800 0 -3.90573817 -0.46172618 3.47416608 L<br /> O-OW--0.847600 0 -0.61933272 -2.71855519 5.89241093 L<br /> H-HW-0.423800 0 -0.72454676 -2.98041195 4.95310793 L<br /> H-HW-0.423800 0 -1.50983193 -2.27391277 6.06907574 L<br /> O-OW--0.847600 0 -2.61813265 2.99849925 2.41190720 L<br /> H-HW-0.423800 0 4.19147258 -3.56273215 -3.22572177 L<br /> H-HW-0.423800 0 3.33695773 -5.00125243 -3.39061107 L<br /> O-OW--0.847600 0 -2.79617222 4.87207773 -2.64701036 L<br /> H-HW-0.423800 0 -2.38699550 4.19042036 -2.02914219 L<br /> H-HW-0.423800 0 -3.79636283 4.89932137 -2.44654765 L<br /> O-OW--0.847600 0 -3.79136740 -3.16014660 1.88872086 L<br /> H-HW-0.423800 0 -3.82220797 -2.37463058 1.22920675 L<br /> H-HW-0.423800 0 -4.72346956 -3.43258399 2.04504453 L<br /> O-OW--0.847600 0 -0.05332830 5.17293005 -2.62027162 L<br /> H-HW-0.423800 0 -1.04665234 5.08408816 -2.53325120 L<br /> H-HW-0.423800 0 0.26914823 4.46882731 -3.27838147 L<br /> O-OW--0.847600 0 1.96530067 -1.12975711 5.92766806 L<br /> H-HW-0.423800 0 2.13187580 -1.46550141 4.91366037 L<br /> H-HW-0.423800 0 1.03097963 -1.35565533 6.10178085 L<br /> O-OW--0.847600 0 4.87048460 1.41771674 -3.35630932 L<br /> H-HW-0.423800 0 5.43334848 1.87198187 -2.64889583 L<br /> H-HW-0.423800 0 4.02992477 1.02265590 -2.89918480 L<br /> O-OW--0.847600 0 -4.30979537 0.03115515 -2.36039196 L<br /> H-HW-0.423800 0 -4.94228341 0.87811472 -2.46496555 L<br /> H-HW-0.423800 0 -4.78898651 -0.75763020 -2.85020923 L<br /> O-OW--0.847600 0 5.35899322 -3.43204090 0.73861728 L<br /> H-HW-0.423800 0 4.79554562 -4.14684764 1.23026341 L<br /> H-HW-0.423800 0 6.04605274 -3.95498834 0.16323939 L<br /> O-OW--0.847600 0 3.16882416 3.14969257 4.25063400 L<br /> H-HW-0.423800 0 2.95532920 2.57234472 3.43529320 L<br /> H-HW-0.423800 0 3.04584297 4.14266981 3.91376106 L<br /> O-OW--0.847600 0 3.27948080 -5.16714298 1.69901926 L<br /> H-HW-0.423800 0 2.68631024 -4.74505979 0.98631060 L<br /> H-HW-0.423800 0 2.69838845 -5.95107243 2.06043996 L<br /> O-OW--0.847600 0 -1.23607274 2.60022378 -4.28824141 L<br /> H-HW-0.423800 0 -1.36968510 1.68064847 -3.90529225 L<br /> H-HW-0.423800 0 -0.21438016 2.78286215 -4.28590581 L<br /> O-OW--0.847600 0 1.36801994 3.39197449 -4.39578410 L<br /> H-HW-0.423800 0 1.89606292 3.44271062 -3.52170221 L<br /> H-HW-0.423800 0 2.01846091 3.30008448 -5.16935051 L<br /> O-OW--0.847600 0 1.61355606 -2.40592290 -3.98747917 L<br /> H-HW-0.423800 0 0.87336650 -2.63408396 -3.27166558 L<br /> H-HW-0.423800 0 2.40492124 -2.90639136 -3.61971395 L<br /> O-OW--0.847600 0 5.17914692 2.14279412 1.04921962 L<br /> H-HW-0.423800 0 4.51208728 1.55811859 1.69499597 L<br /> H-HW-0.423800 0 4.79453093 3.05702789 1.00916819 L<br /> O-OW--0.847600 0 -4.79851239 -0.03227942 3.70741132 L<br /> H-HW-0.423800 0 -4.73945444 0.27002293 4.68870800 L<br /> H-HW-0.423800 0 -3.90573817 -0.46172618 3.47416608 L<br /> O-OW--0.847600 0 -0.61933272 -2.71855519 5.89241093 L<br /> H-HW-0.423800 0 -0.72454676 -2.98041195 4.95310793 L<br /> H-HW-0.423800 0 -1.50983193 -2.27391277 6.06907574 L<br /> O-OW--0.847600 0 -2.61813265 2.99849925 2.41190720 L</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/basiconiom&diff=326241 2013-03-05T18:24:16Z

<p>Gvl07: /* Basic ONIOM (Mechanical Embedding) */</p> <hr /> <div>=Basic ONIOM (Mechanical Embedding)=<br /> <br /> 1. Sample ONIOM input file<br /> %chk=toy2.chk<br /> %mem=5800MB<br /> %nprocshared=4<br /> #p opt=(calcfc,quadmacro) oniom(b3lyp/6-31+g(d,p):amber=(softonly,print))<br /> nosymm geom=connectivity<br /> Test H2O<br /> -1 1 -1 1 -1 1<br /> S-S-1.270000 0 0.10284895 0.02757327 0.05534583 H<br /> O-O1--0.640000 0 0.95090502 -1.05075883 -0.81085201 H<br /> O-O2--0.670000 0 -0.51087811 0.82245133 -0.91214172 H<br /> O-O3--0.670000 0 -0.81851250 -0.72427103 0.81164058 H<br /> O-O4--0.670000 0 1.11462042 0.79477780 0.80476499 H<br /> H-H-0.380000 0 0.45941997 -1.72717140 -1.30097755 H<br /> O-OW--0.847600 0 3.31669151 0.92337934 2.20457485 L<br /> H-HW-0.423800 0 2.45080557 0.82778355 1.63296313 L<br /> H-HW-0.423800 0 3.48603341 -0.04930496 2.47598596 L<br /> O-OW--0.847600 0 -0.22954592 2.02696219 2.80161775 L<br /> H-HW-0.423800 0 0.26747515 1.48301390 2.11598828 L<br /> H-HW-0.423800 0 0.28064120 1.84302227 3.63593862 L<br /> O-OW--0.847600 0 -2.29924951 -1.45878390 3.35153800 L<br /> H-HW-0.423800 0 -1.87326212 -1.03609584 2.58030291 L<br /> H-HW-0.423800 0 -2.87613390 -2.25478077 3.00874061 L<br /> O-OW--0.847600 0 -3.54879856 -0.88925095 0.08410237 L<br /> H-HW-0.423800 0 -3.87672866 -0.69332912 -0.88175409 L<br /> H-HW-0.423800 0 -2.59079526 -0.54744474 0.17954089 L<br /> O-OW--0.847600 0 -1.83913482 3.22538749 -0.59342039 L<br /> H-HW-0.423800 0 -1.29220416 2.34165819 -0.77772930 L<br /> H-HW-0.423800 0 -1.87947273 3.40788366 0.38849210 L<br /> O-OW--0.847600 0 -0.28045738 -3.12703664 -2.19490573 L<br /> H-HW-0.423800 0 0.08068071 -4.06820600 -2.35482136 L<br /> H-HW-0.423800 0 -1.31072517 -3.35441273 -2.29980667 L<br /> O-OW--0.847600 0 2.37543122 2.81921989 -1.66804655 L<br /> H-HW-0.423800 0 2.58818235 1.94618777 -1.18868481 L<br /> H-HW-0.423800 0 1.72881114 3.25739501 -1.07832183 L<br /> O-OW--0.847600 0 3.11591669 0.24299129 -1.58116804 L<br /> H-HW-0.423800 0 3.97376898 -0.23507194 -1.37416825 L<br /> H-HW-0.423800 0 2.39885963 -0.35034399 -1.06960474 L<br /> O-OW--0.847600 0 0.40050495 -3.04638717 1.40557679 L<br /> H-HW-0.423800 0 -0.10980106 -2.20999055 1.09766318 L<br /> H-HW-0.423800 0 0.81031776 -3.51765847 0.61371410 L<br /> O-OW--0.847600 0 -1.64745773 0.16003978 -3.18188232 L<br /> H-HW-0.423800 0 -1.23948138 0.44264616 -2.25324594 L<br /> H-HW-0.423800 0 -2.62310947 0.05217754 -2.86863471 L<br /> O-OW--0.847600 0 -5.08755345 1.49182027 1.58924908 L<br /> H-HW-0.423800 0 -5.05718425 0.81983890 2.36514831 L<br /> H-HW-0.423800 0 -5.16185625 0.85085664 0.81364159 L<br /> O-OW--0.847600 0 3.26723407 -4.03836556 -3.02872512 L</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/basiconiom&diff=326240 2013-03-05T18:23:55Z

<p>Gvl07: /* Basic ONIOM (Mechanical Embedding) */</p> <hr /> <div>=Basic ONIOM (Mechanical Embedding)=<br /> <br /> 1. Sample ONIOM input file<br /> %chk=toy2.chk<br /> %mem=5800MB<br /> %nprocshared=4<br /> #p opt=(calcfc,quadmacro) oniom(b3lyp/6-31+g(d,p):amber=(softonly,print))<br /> nosymm geom=connectivity<br /> <br /> Test H2O<br /> <br /> -1 1 -1 1 -1 1<br /> S-S-1.270000 0 0.10284895 0.02757327 0.05534583 H<br /> O-O1--0.640000 0 0.95090502 -1.05075883 -0.81085201 H<br /> O-O2--0.670000 0 -0.51087811 0.82245133 -0.91214172 H<br /> O-O3--0.670000 0 -0.81851250 -0.72427103 0.81164058 H<br /> O-O4--0.670000 0 1.11462042 0.79477780 0.80476499 H<br /> H-H-0.380000 0 0.45941997 -1.72717140 -1.30097755 H<br /> O-OW--0.847600 0 3.31669151 0.92337934 2.20457485 L<br /> H-HW-0.423800 0 2.45080557 0.82778355 1.63296313 L<br /> H-HW-0.423800 0 3.48603341 -0.04930496 2.47598596 L<br /> O-OW--0.847600 0 -0.22954592 2.02696219 2.80161775 L<br /> H-HW-0.423800 0 0.26747515 1.48301390 2.11598828 L<br /> H-HW-0.423800 0 0.28064120 1.84302227 3.63593862 L<br /> O-OW--0.847600 0 -2.29924951 -1.45878390 3.35153800 L<br /> H-HW-0.423800 0 -1.87326212 -1.03609584 2.58030291 L<br /> H-HW-0.423800 0 -2.87613390 -2.25478077 3.00874061 L<br /> O-OW--0.847600 0 -3.54879856 -0.88925095 0.08410237 L<br /> H-HW-0.423800 0 -3.87672866 -0.69332912 -0.88175409 L<br /> H-HW-0.423800 0 -2.59079526 -0.54744474 0.17954089 L<br /> O-OW--0.847600 0 -1.83913482 3.22538749 -0.59342039 L<br /> H-HW-0.423800 0 -1.29220416 2.34165819 -0.77772930 L<br /> H-HW-0.423800 0 -1.87947273 3.40788366 0.38849210 L<br /> O-OW--0.847600 0 -0.28045738 -3.12703664 -2.19490573 L<br /> H-HW-0.423800 0 0.08068071 -4.06820600 -2.35482136 L<br /> H-HW-0.423800 0 -1.31072517 -3.35441273 -2.29980667 L<br /> O-OW--0.847600 0 2.37543122 2.81921989 -1.66804655 L<br /> H-HW-0.423800 0 2.58818235 1.94618777 -1.18868481 L<br /> H-HW-0.423800 0 1.72881114 3.25739501 -1.07832183 L<br /> O-OW--0.847600 0 3.11591669 0.24299129 -1.58116804 L<br /> H-HW-0.423800 0 3.97376898 -0.23507194 -1.37416825 L<br /> H-HW-0.423800 0 2.39885963 -0.35034399 -1.06960474 L<br /> O-OW--0.847600 0 0.40050495 -3.04638717 1.40557679 L<br /> H-HW-0.423800 0 -0.10980106 -2.20999055 1.09766318 L<br /> H-HW-0.423800 0 0.81031776 -3.51765847 0.61371410 L<br /> O-OW--0.847600 0 -1.64745773 0.16003978 -3.18188232 L<br /> H-HW-0.423800 0 -1.23948138 0.44264616 -2.25324594 L<br /> H-HW-0.423800 0 -2.62310947 0.05217754 -2.86863471 L<br /> O-OW--0.847600 0 -5.08755345 1.49182027 1.58924908 L<br /> H-HW-0.423800 0 -5.05718425 0.81983890 2.36514831 L<br /> H-HW-0.423800 0 -5.16185625 0.85085664 0.81364159 L<br /> O-OW--0.847600 0 3.26723407 -4.03836556 -3.02872512 L</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/basiconiom&diff=326239 2013-03-05T18:23:39Z

<p>Gvl07: /* Basic ONIOM (Mechanical Embedding) */</p> <hr /> <div>=Basic ONIOM (Mechanical Embedding)=<br /> <br /> 1. Sample ONIOM input file<br /> %chk=toy2.chk<br /> %mem=5800MB<br /> %nprocshared=4<br /> #p opt=(calcfc,quadmacro) oniom(b3lyp/6-31+g(d,p):amber=(softonly,print))<br /> nosymm geom=connectivity<br /> <br /> Test H2O<br /> <br /> -1 1 -1 1 -1 1<br /> S-S-1.270000 0 0.10284895 0.02757327 0.05534583 H<br /> O-O1--0.640000 0 0.95090502 -1.05075883 -0.81085201 H<br /> O-O2--0.670000 0 -0.51087811 0.82245133 -0.91214172 H<br /> O-O3--0.670000 0 -0.81851250 -0.72427103 0.81164058 H<br /> O-O4--0.670000 0 1.11462042 0.79477780 0.80476499 H<br /> H-H-0.380000 0 0.45941997 -1.72717140 -1.30097755 H<br /> O-OW--0.847600 0 3.31669151 0.92337934 2.20457485 L<br /> H-HW-0.423800 0 2.45080557 0.82778355 1.63296313 L<br /> H-HW-0.423800 0 3.48603341 -0.04930496 2.47598596 L<br /> O-OW--0.847600 0 -0.22954592 2.02696219 2.80161775 L<br /> H-HW-0.423800 0 0.26747515 1.48301390 2.11598828 L<br /> H-HW-0.423800 0 0.28064120 1.84302227 3.63593862 L<br /> O-OW--0.847600 0 -2.29924951 -1.45878390 3.35153800 L<br /> H-HW-0.423800 0 -1.87326212 -1.03609584 2.58030291 L<br /> H-HW-0.423800 0 -2.87613390 -2.25478077 3.00874061 L<br /> O-OW--0.847600 0 -3.54879856 -0.88925095 0.08410237 L<br /> H-HW-0.423800 0 -3.87672866 -0.69332912 -0.88175409 L<br /> H-HW-0.423800 0 -2.59079526 -0.54744474 0.17954089 L<br /> O-OW--0.847600 0 -1.83913482 3.22538749 -0.59342039 L<br /> H-HW-0.423800 0 -1.29220416 2.34165819 -0.77772930 L<br /> H-HW-0.423800 0 -1.87947273 3.40788366 0.38849210 L<br /> O-OW--0.847600 0 -0.28045738 -3.12703664 -2.19490573 L<br /> H-HW-0.423800 0 0.08068071 -4.06820600 -2.35482136 L<br /> H-HW-0.423800 0 -1.31072517 -3.35441273 -2.29980667 L<br /> O-OW--0.847600 0 2.37543122 2.81921989 -1.66804655 L<br /> H-HW-0.423800 0 2.58818235 1.94618777 -1.18868481 L<br /> H-HW-0.423800 0 1.72881114 3.25739501 -1.07832183 L<br /> O-OW--0.847600 0 3.11591669 0.24299129 -1.58116804 L<br /> H-HW-0.423800 0 3.97376898 -0.23507194 -1.37416825 L<br /> H-HW-0.423800 0 2.39885963 -0.35034399 -1.06960474 L<br /> O-OW--0.847600 0 0.40050495 -3.04638717 1.40557679 L<br /> H-HW-0.423800 0 -0.10980106 -2.20999055 1.09766318 L<br /> H-HW-0.423800 0 0.81031776 -3.51765847 0.61371410 L<br /> O-OW--0.847600 0 -1.64745773 0.16003978 -3.18188232 L<br /> H-HW-0.423800 0 -1.23948138 0.44264616 -2.25324594 L<br /> H-HW-0.423800 0 -2.62310947 0.05217754 -2.86863471 L<br /> O-OW--0.847600 0 -5.08755345 1.49182027 1.58924908 L<br /> H-HW-0.423800 0 -5.05718425 0.81983890 2.36514831 L<br /> H-HW-0.423800 0 -5.16185625 0.85085664 0.81364159 L<br /> O-OW--0.847600 0 3.26723407 -4.03836556 -3.02872512 L</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/basiconiom&diff=326238 2013-03-05T18:23:10Z

<p>Gvl07: Created page with &quot;=Basic ONIOM (Mechanical Embedding)= 1. Sample ONIOM input file %chk=toy2.chk %mem=5800MB %nprocshared=4 #p opt=(calcfc,quadmacro) oniom(b3lyp/6-31+g(d,p):amber=(softonly,pri...&quot;</p> <hr /> <div>=Basic ONIOM (Mechanical Embedding)=<br /> <br /> 1. Sample ONIOM input file<br /> %chk=toy2.chk<br /> %mem=5800MB<br /> %nprocshared=4<br /> #p opt=(calcfc,quadmacro) oniom(b3lyp/6-31+g(d,p):amber=(softonly,print))<br /> nosymm geom=connectivity<br /> <br /> Test H2O<br /> <br /> -1 1 -1 1 -1 1<br /> S-S-1.270000 0 0.10284895 0.02757327 0.05534583 H<br /> O-O1--0.640000 0 0.95090502 -1.05075883 -0.81085201 H<br /> O-O2--0.670000 0 -0.51087811 0.82245133 -0.91214172 H<br /> O-O3--0.670000 0 -0.81851250 -0.72427103 0.81164058 H<br /> O-O4--0.670000 0 1.11462042 0.79477780 0.80476499 H<br /> H-H-0.380000 0 0.45941997 -1.72717140 -1.30097755 H<br /> O-OW--0.847600 0 3.31669151 0.92337934 2.20457485 L<br /> H-HW-0.423800 0 2.45080557 0.82778355 1.63296313 L<br /> H-HW-0.423800 0 3.48603341 -0.04930496 2.47598596 L<br /> O-OW--0.847600 0 -0.22954592 2.02696219 2.80161775 L<br /> H-HW-0.423800 0 0.26747515 1.48301390 2.11598828 L<br /> H-HW-0.423800 0 0.28064120 1.84302227 3.63593862 L<br /> O-OW--0.847600 0 -2.29924951 -1.45878390 3.35153800 L<br /> H-HW-0.423800 0 -1.87326212 -1.03609584 2.58030291 L<br /> H-HW-0.423800 0 -2.87613390 -2.25478077 3.00874061 L<br /> O-OW--0.847600 0 -3.54879856 -0.88925095 0.08410237 L<br /> H-HW-0.423800 0 -3.87672866 -0.69332912 -0.88175409 L<br /> H-HW-0.423800 0 -2.59079526 -0.54744474 0.17954089 L<br /> O-OW--0.847600 0 -1.83913482 3.22538749 -0.59342039 L<br /> H-HW-0.423800 0 -1.29220416 2.34165819 -0.77772930 L<br /> H-HW-0.423800 0 -1.87947273 3.40788366 0.38849210 L<br /> O-OW--0.847600 0 -0.28045738 -3.12703664 -2.19490573 L<br /> H-HW-0.423800 0 0.08068071 -4.06820600 -2.35482136 L<br /> H-HW-0.423800 0 -1.31072517 -3.35441273 -2.29980667 L<br /> O-OW--0.847600 0 2.37543122 2.81921989 -1.66804655 L<br /> H-HW-0.423800 0 2.58818235 1.94618777 -1.18868481 L<br /> H-HW-0.423800 0 1.72881114 3.25739501 -1.07832183 L<br /> O-OW--0.847600 0 3.11591669 0.24299129 -1.58116804 L<br /> H-HW-0.423800 0 3.97376898 -0.23507194 -1.37416825 L<br /> H-HW-0.423800 0 2.39885963 -0.35034399 -1.06960474 L<br /> O-OW--0.847600 0 0.40050495 -3.04638717 1.40557679 L<br /> H-HW-0.423800 0 -0.10980106 -2.20999055 1.09766318 L<br /> H-HW-0.423800 0 0.81031776 -3.51765847 0.61371410 L<br /> O-OW--0.847600 0 -1.64745773 0.16003978 -3.18188232 L<br /> H-HW-0.423800 0 -1.23948138 0.44264616 -2.25324594 L<br /> H-HW-0.423800 0 -2.62310947 0.05217754 -2.86863471 L<br /> O-OW--0.847600 0 -5.08755345 1.49182027 1.58924908 L<br /> H-HW-0.423800 0 -5.05718425 0.81983890 2.36514831 L<br /> H-HW-0.423800 0 -5.16185625 0.85085664 0.81364159 L<br /> O-OW--0.847600 0 3.26723407 -4.03836556 -3.02872512 L</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/jmolsurfaces&diff=326235 2013-03-05T18:16:22Z

<p>Gvl07: /* Visualizing Surfaces using Jmol */</p> <hr /> <div>=Visualizing Surfaces using Jmol=<br /> <br /> 1. Open coordinate file using jmol - i.e. '''jmol test.xyz'''<br /> <br /> 2. Click File --&gt; &quot;Console&quot; <br /> <br /> 3. Solvent Accessible Surfaces:<br /> To generate the surface enter &quot;'''isosurface sasurface 1.2'''&quot; <br /> If you want the area enter &quot;'''isosurface sasurface 1.2 area'''&quot;<br /> If you want the volume enter &quot;'''isosurface sasurface 1.2 volume'''&quot;<br /> '''1.2''' can be changed to a number corresponding to the radius of the probe you want<br /> <br /> 4. Connolly Surfaces:<br /> To generate the surface enter &quot;'''isosurface solvent 1.2'''&quot; <br /> If you want the area enter &quot;'''isosurface solvent 1.2 area'''&quot;<br /> If you want the volume enter &quot;'''isosurface solvent 1.2 volume'''&quot;</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/jmolsurfaces&diff=326234 2013-03-05T18:16:03Z

<p>Gvl07: /* Visualizing Surfaces using Jmol */</p> <hr /> <div>=Visualizing Surfaces using Jmol=<br /> <br /> 1. Open coordinate file using jmol - i.e. '''jmol test.xyz'''<br /> <br /> 2. Click File -&gt; &quot;Console&quot; <br /> <br /> 3. Solvent Accessible Surfaces:<br /> To generate the surface enter &quot;'''isosurface sasurface 1.2'''&quot; <br /> If you want the area enter &quot;'''isosurface sasurface 1.2 area'''&quot;<br /> If you want the volume enter &quot;'''isosurface sasurface 1.2 volume'''&quot;<br /> '''1.2''' can be changed to a number corresponding to the radius of the probe you want<br /> <br /> 4. Connolly Surfaces:<br /> To generate the surface enter &quot;'''isosurface solvent 1.2'''&quot; <br /> If you want the area enter &quot;'''isosurface solvent 1.2 area'''&quot;<br /> If you want the volume enter &quot;'''isosurface solvent 1.2 volume'''&quot;</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group&diff=326232 2013-03-05T18:07:37Z

<p>Gvl07: /* Gaussian General */</p> <hr /> <div>==Hunt Group Wiki==<br /> <br /> Back to the main [http://www.ch.ic.ac.uk/hunt web-page]<br /> ===Resources===<br /> <br /> #Computing resources available in the chemistry department [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/computing_resources link] (notes by Tricia)<br /> <br /> ===Gaussian General===<br /> #A database of common errors encountered when running Gaussian jobs [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/gaussian_errors link] (notes by Everyone!)<br /> #Instructions for visualizing electrostatic potentials [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/electrostatic_potentials link] (notes by Flo)<br /> #Electrostatic Potentials II (Molden) [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/electrostatic_potentials_2 link] (notes by Gab)<br /> # [http://www.ch.ic.ac.uk/hunt/g03_man/index.htm G03 Manual]<br /> #How to turn a Gaussian optimization into a VMD movie [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/VMDmovie link] (notes by Heiko)<br /> #How to run NBO5.9 on the HPC [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/NBO5.9 link] (notes by Richard)<br /> #How to include dispersion [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/dispersion link] (notes by Bryan &amp; Richard)<br /> #Basic ONIOM (Mechanical Embedding) [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/basiconiom link] (notes by Gab)<br /> <br /> ===Unix and HPC===<br /> #Setting up a connection to HPC if you have a PC [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/hpc_connections link] (notes by Hieu) <br /> #How to fix Windows files under UNIX [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/Windowsfiles link] (notes by Heiko)<br /> #HPC servers and run scripts [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/hpc link] (notes by Tricia and Ling)]<br /> #How to make ssh more comfortable [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/pimpSSH link] (notes by Heiko)<br /> #How to set up a SSH keypair [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/SSHkeyfile link] (notes by Heiko)<br /> #How to use gaussview directly on the HPC [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/gview link] (notes by Heiko)<br /> #How to comfortably search through old BASH commands [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/searchbash link] (notes by Heiko)<br /> #How to connect to HPC directory on desktop for file transfers [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/hpc_Directory_on_desktop link] (notes by Rachael, Weihong and Ling)<br /> #How to set up cx2 [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/cx2 link] (notes by Ling)<br /> <br /> ===Installing and using packages===<br /> #CPMD: Car-Parrinello Molecular Dynamics [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/cpmd link] (notes by Ling)<br /> #Beginners guide to VMD: a molecular dynamics visualisation package [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/vmd link] (notes by Ling &amp; Bryan)<br /> #DLPOLY a MD simulation package, Installation on an IMac [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/dlpoly_install link] (notes by Ling)<br /> #How to install POLYRATE [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/polyrate link] (notes by Tricia)<br /> #How to install Geomview [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/geomview link] (notes by Tricia)<br /> #XMGRACE, gfortran, c compilers for Lion [http://hpc.sourceforge.net/] (Ling)<br /> #Visualising MOs using Jmol [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Mod:basic_jmol_instructions link] (notes by Bryan)<br /> #Surfaces (Solvent-Accessible and Connolly) in Jmol [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/jmolsurfaces link] (notes by Gab)<br /> <br /> ===Setup and Running MD Simulations===<br /> #How to run CPMD to study aqueous solutions [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/cpmd_water link] (notes by Ling)<br /> #How to run CP2K [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/cp2k_how link] (notes by Ling)<br /> #How to plot EMOs [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/emo link] (notes by Ling)<br /> #DL_POLY FAQs [http://www.stfc.ac.uk/cse/DL_POLY/ccp1gui/38621.aspx] from DL_POLY webpage.<br /> #Packmol for generating starting configurations [http://www.ime.unicamp.br/~martinez/packmol/] from Packmol webpage.<br /> #Getting the Force Field [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/Wheretostart link] (notes by Richard)<br /> #Choosing an Ensemble [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/Ensembles link] (notes by Richard)<br /> #Equilibration and production simulations [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/EquilibrationandProduction link] (notes by Richard)<br /> #Visualising your Simulation [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/VisualisingyourSimulation link] (notes by Richard)<br /> #Voids in ILs[https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/voids link] (notes by Ling)<br /> #How to equilibrate an MD run[https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/equilibration link] (notes by Tricia and Ling)]<br /> #Equilibration of [bmim][BF4] and [bmim][NO3][https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/BmimBF4_equilibration link] (notes by Ling)]<br /> #Summary of discussions with Ruth[https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/Aug09QtoRuth link] (notes by Ling and Tricia)]<br /> <br /> ===Research Notes===<br /> #Cl- in water [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/wannier_centre link] (notes by Ling)]<br /> #The use of Legendre time correlation functions to study reorientational dynamics in liquids[https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/legendre link] (notes by Yannis)<br /> #Functional for ILs using CPMD [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/IL_cpmd_functional link] (notes by Ling)<br /> #[bmim]Cl using CPMD [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/bmimCl_cpmd link] (notes by Ling)<br /> #[bmim]Cl using CP2K [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/bmimCl_cp2k link] (notes by Ling)<br /> #mman using CPMD and Gaussian [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/mman link] (notes by Ling)<br /> #[emim]SCN using CP2K[https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/emimscn link] (notes by Ling)<br /> #How to use Ling's emo plot code[https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/emoplot link] (notes by Ling)<br /> #CP2K Donts [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/cp2k link] (notes by Ling)<br /> #How to make VMD trajectory repeated periodically [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/vmd link] (notes by Ling)<br /> #Solving the angular part of the Schrödinger equation for a hydrogen atom [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/angular_schrodinger link] (notes by Vincent)<br /> <br /> ===CDT records===<br /> #Activities record [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/CDT_records records]<br /> <br /> ===Admin Stuff===<br /> #Not used to writing a wiki, make your test runs [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/testing on this page]<br /> #How to set-up new macs [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/mac_setup link] (notes by Tricia)<br /> #How to set-up remote desktop [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/mac_remote link] (notes by Tricia)<br /> #[https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/calendar Calendar] (notes by Tricia)<br /> #Demonstrating in the 3rd year computational chemistry lab [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/compchemlab Timetable] (notes by Tricia)<br /> #How to switch the printer HP CP3525dn duplex on and off [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/printing link] notes by Tricia</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/jmolsurfaces&diff=326204 2013-03-05T17:09:06Z

<p>Gvl07: </p> <hr /> <div>=Visualizing Surfaces using Jmol=<br /> <br /> 1. Open coordinate file using jmol - i.e. '''jmol test.xyz'''<br /> <br /> 2. Click &quot;Console&quot; under file<br /> <br /> 3. Solvent Accessible Surfaces:<br /> To generate the surface enter &quot;'''isosurface sasurface 1.2'''&quot; <br /> If you want the area enter &quot;'''isosurface sasurface 1.2 area'''&quot;<br /> If you want the volume enter &quot;'''isosurface sasurface 1.2 volume'''&quot;<br /> '''1.2''' can be changed to a number corresponding to the radius of the probe you want<br /> <br /> 4. Connolly Surfaces:<br /> To generate the surface enter &quot;'''isosurface solvent 1.2'''&quot; <br /> If you want the area enter &quot;'''isosurface solvent 1.2 area'''&quot;<br /> If you want the volume enter &quot;'''isosurface solvent 1.2 volume'''&quot;</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/jmolsurfaces&diff=326203 2013-03-05T17:06:47Z

<p>Gvl07: </p> <hr /> <div>=Visualizing Surfaces using Jmol=<br /> <br /> 1. Open coordinate file using jmol - i.e. jmol test.xyz<br /> <br /> 2. Click &quot;Console&quot; under file<br /> <br /> 3. Solvent Accessible Surfaces:<br /> To generate the surface enter &quot;'''isosurface sasurface 1.2'''&quot; <br /> If you want the area enter &quot;'''isosurface sasurface 1.2 area'''&quot;<br /> If you want the volume enter &quot;'''isosurface sasurface 1.2 volume'''&quot;<br /> 1.2 can be changed to a number corresponding to the radius of the probe you want</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/jmolsurfaces&diff=326202 2013-03-05T17:06:15Z

<p>Gvl07: /* Visualizing Surfaces using Jmol */</p> <hr /> <div>=Visualizing Surfaces using Jmol=<br /> <br /> 1. Open coordinate file using jmol - i.e. jmol test.xyz<br /> <br /> 2. Click &quot;Console&quot; under file<br /> <br /> 3. Solvent Accessible Surfaces:<br /> To generate the surface enter &quot;'''isosurface sasurface 1.2'''&quot; where 1.2 can be changed to a number corresponding to the radius of the probe you want<br /> If you want the area enter &quot;'''isosurface sasurface 1.2 area'''&quot;<br /> If you want the volume enter &quot;'''isosurface sasurface 1.2 volume'''&quot;</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/jmolsurfaces&diff=326201 2013-03-05T17:05:17Z

<p>Gvl07: </p> <hr /> <div>=Visualizing Surfaces using Jmol=<br /> <br /> 1. Open coordinate file using jmol - i.e. jmol test.xyz<br /> <br /> 2. Click &quot;Console&quot; under file<br /> <br /> 3. Solvent Accessible Surfaces:<br /> To generate the surface enter &quot;'''isosurface sasurface 1.2'''&quot; where 1.2 can be changed to a number corresponding to the radius of the probe you want<br /> If you want the</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/jmolsurfaces&diff=326198 2013-03-05T17:03:12Z

<p>Gvl07: Created page with &quot;=Visualizing Surfaces using Jmol= 1. Open coordinate file using jmol - i.e. jmol test.xyz 2. Click &quot;Console&quot; under file 3. Solvent Accessible Surfaces: To generate the surf...&quot;</p> <hr /> <div>=Visualizing Surfaces using Jmol=<br /> <br /> 1. Open coordinate file using jmol - i.e. jmol test.xyz<br /> <br /> 2. Click &quot;Console&quot; under file<br /> <br /> 3. Solvent Accessible Surfaces:<br /> To generate the surface enter &quot;isosurface sasurface 1.2&quot;</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group&diff=325902 2013-03-05T12:17:12Z

<p>Gvl07: /* Installing and using packages */</p> <hr /> <div>==Hunt Group Wiki==<br /> <br /> Back to the main [http://www.ch.ic.ac.uk/hunt web-page]<br /> ===Resources===<br /> <br /> #Computing resources available in the chemistry department [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/computing_resources link] (notes by Tricia)<br /> <br /> ===Gaussian General===<br /> #A database of common errors encountered when running Gaussian jobs [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/gaussian_errors link] (notes by Everyone!)<br /> #Instructions for visualizing electrostatic potentials [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/electrostatic_potentials link] (notes by Flo)<br /> #Electrostatic Potentials II (Molden) [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/electrostatic_potentials_2 link] (notes by Gab)<br /> # [http://www.ch.ic.ac.uk/hunt/g03_man/index.htm G03 Manual]<br /> #How to turn a Gaussian optimization into a VMD movie [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/VMDmovie link] (notes by Heiko)<br /> #How to run NBO5.9 on the HPC [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/NBO5.9 link] (notes by Richard)<br /> #How to include dispersion [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/dispersion link] (notes by Bryan &amp; Richard)<br /> <br /> ===Unix and HPC===<br /> #Setting up a connection to HPC if you have a PC [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/hpc_connections link] (notes by Hieu) <br /> #How to fix Windows files under UNIX [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/Windowsfiles link] (notes by Heiko)<br /> #HPC servers and run scripts [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/hpc link] (notes by Tricia and Ling)]<br /> #How to make ssh more comfortable [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/pimpSSH link] (notes by Heiko)<br /> #How to set up a SSH keypair [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/SSHkeyfile link] (notes by Heiko)<br /> #How to use gaussview directly on the HPC [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/gview link] (notes by Heiko)<br /> #How to comfortably search through old BASH commands [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/searchbash link] (notes by Heiko)<br /> #How to connect to HPC directory on desktop for file transfers [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/hpc_Directory_on_desktop link] (notes by Rachael, Weihong and Ling)<br /> #How to set up cx2 [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/cx2 link] (notes by Ling)<br /> <br /> ===Installing and using packages===<br /> #CPMD: Car-Parrinello Molecular Dynamics [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/cpmd link] (notes by Ling)<br /> #Beginners guide to VMD: a molecular dynamics visualisation package [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/vmd link] (notes by Ling &amp; Bryan)<br /> #DLPOLY a MD simulation package, Installation on an IMac [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/dlpoly_install link] (notes by Ling)<br /> #How to install POLYRATE [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/polyrate link] (notes by Tricia)<br /> #How to install Geomview [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/geomview link] (notes by Tricia)<br /> #XMGRACE, gfortran, c compilers for Lion [http://hpc.sourceforge.net/] (Ling)<br /> #Visualising MOs using Jmol [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Mod:basic_jmol_instructions link] (notes by Bryan)<br /> #Surfaces (Solvent-Accessible and Connolly) in Jmol [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/jmolsurfaces link] (notes by Gab)<br /> <br /> ===Setup and Running MD Simulations===<br /> #How to run CPMD to study aqueous solutions [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/cpmd_water link] (notes by Ling)<br /> #How to run CP2K [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/cp2k_how link] (notes by Ling)<br /> #How to plot EMOs [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/emo link] (notes by Ling)<br /> #DL_POLY FAQs [http://www.stfc.ac.uk/cse/DL_POLY/ccp1gui/38621.aspx] from DL_POLY webpage.<br /> #Packmol for generating starting configurations [http://www.ime.unicamp.br/~martinez/packmol/] from Packmol webpage.<br /> #Getting the Force Field [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/Wheretostart link] (notes by Richard)<br /> #Choosing an Ensemble [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/Ensembles link] (notes by Richard)<br /> #Equilibration and production simulations [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/EquilibrationandProduction link] (notes by Richard)<br /> #Visualising your Simulation [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/VisualisingyourSimulation link] (notes by Richard)<br /> #Voids in ILs[https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/voids link] (notes by Ling)<br /> #How to equilibrate an MD run[https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/equilibration link] (notes by Tricia and Ling)]<br /> #Equilibration of [bmim][BF4] and [bmim][NO3][https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/BmimBF4_equilibration link] (notes by Ling)]<br /> #Summary of discussions with Ruth[https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/Aug09QtoRuth link] (notes by Ling and Tricia)]<br /> <br /> ===Research Notes===<br /> #Cl- in water [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/wannier_centre link] (notes by Ling)]<br /> #The use of Legendre time correlation functions to study reorientational dynamics in liquids[https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/legendre link] (notes by Yannis)<br /> #Functional for ILs using CPMD [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/IL_cpmd_functional link] (notes by Ling)<br /> #[bmim]Cl using CPMD [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/bmimCl_cpmd link] (notes by Ling)<br /> #[bmim]Cl using CP2K [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/bmimCl_cp2k link] (notes by Ling)<br /> #mman using CPMD and Gaussian [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/mman link] (notes by Ling)<br /> #[emim]SCN using CP2K[https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/emimscn link] (notes by Ling)<br /> #How to use Ling's emo plot code[https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/emoplot link] (notes by Ling)<br /> #CP2K Donts [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/cp2k link] (notes by Ling)<br /> #How to make VMD trajectory repeated periodically [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/vmd link] (notes by Ling)<br /> #Solving the angular part of the Schrödinger equation for a hydrogen atom [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/angular_schrodinger link] (notes by Vincent)<br /> <br /> ===CDT records===<br /> #Activities record [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/CDT_records records]<br /> <br /> ===Admin Stuff===<br /> #Not used to writing a wiki, make your test runs [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/testing on this page]<br /> #How to set-up new macs [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/mac_setup link] (notes by Tricia)<br /> #How to set-up remote desktop [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/mac_remote link] (notes by Tricia)<br /> #[https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/calendar Calendar] (notes by Tricia)<br /> #Demonstrating in the 3rd year computational chemistry lab [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/compchemlab Timetable] (notes by Tricia)<br /> #How to switch the printer HP CP3525dn duplex on and off [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/printing link] notes by Tricia</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/electrostatic_potentials_2&diff=325856 2013-03-05T11:44:18Z

<p>Gvl07: /* Generating the Surface */</p> <hr /> <div>=Visualizing Electrostatic Potentials using Molden=<br /> <br /> 1. Generate formatted checkpoint file (either using formchk or adding the '''formcheck''' keyword to your input file)<br /> <br /> 2. Create cube files for the density and electrostatic potential using '''cubegen''':<br /> ''' cubegen 0 density jobname.fchk jobname_dens.cube 80 ''' <br /> '''cubegen 0 potential jobname.fchk jobname_esp.cube 80'''<br /> <br /> 3. Start Molden:<br /> - Click &quot;Dens.Mode&quot;<br /> - Click &quot;Read Cube&quot;<br /> - Select &quot;Gaussian&quot;<br /> - Enter filename of density cube: '''jobname_dens.cube'''<br /> - Click &quot;Vr&quot; icon<br /> - Select &quot;Colour Mapped&quot;<br /> - Select &quot;Gaussian Cube&quot; under &quot;Select Types&quot; <br /> - Enter filename of electrostatic potential cube: '''jobname_esp.cube'''<br /> - Select output &quot;VRML2.0&quot;<br /> - Play around with contour value for isodensity surface<br /> - Click Apply<br /> <br /> 4. Visualize .wrl file using software such as &quot;Chimera&quot; (http://www.cgl.ucsf.edu/chimera/)</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/electrostatic_potentials_2&diff=325855 2013-03-05T11:43:16Z

<p>Gvl07: /* Generating the Surface */</p> <hr /> <div>=Visualizing Electrostatic Potentials using Molden=<br /> <br /> ==Generating the Surface==<br /> <br /> 1. Generate formatted checkpoint file (either using formchk or adding the '''formcheck''' keyword to your input file)<br /> <br /> 2. Create cube files for the density and electrostatic potential using '''cubegen''':<br /> ''' cubegen 0 density jobname.fchk jobname_dens.cube 80 ''' <br /> '''cubegen 0 potential jobname.fchk jobname_esp.cube 80'''<br /> <br /> 3. Start Molden:<br /> - Click &quot;Dens.Mode&quot;<br /> - Click &quot;Read Cube&quot;<br /> - Select &quot;Gaussian&quot;<br /> - Enter filename of density cube: '''jobname_dens.cube'''<br /> - Click &quot;Vr&quot; icon<br /> - Select &quot;Colour Mapped&quot;<br /> - Select &quot;Gaussian Cube&quot; under &quot;Select Types&quot; <br /> - Enter filename of electrostatic potential cube: '''jobname_esp.cube'''<br /> - Select output &quot;VRML2.0&quot;<br /> - Play around with contour value for isodensity surface<br /> - Click Apply<br /> <br /> 4. Visualize .wrl file using software such as &quot;Chimera&quot; (http://www.cgl.ucsf.edu/chimera/)</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/electrostatic_potentials_2&diff=325853 2013-03-05T11:38:19Z

<p>Gvl07: /* Generating the Surface */</p> <hr /> <div>=Visualizing Electrostatic Potentials using Molden=<br /> <br /> ==Generating the Surface==<br /> <br /> 1. Generate formatted checkpoint file (either using formchk or adding the '''formcheck''' keyword to your input file)<br /> <br /> 2. Create cube files for the density and electrostatic potential using '''cubegen''':<br /> ''' cubegen 0 density jobname.fchk jobname_dens.cube 80 ''' <br /> '''cubegen 0 potential jobname.fchk jobname_esp.cube 80'''<br /> <br /> 3. Start Molden:<br /> - Click &quot;Dens.Mode&quot;<br /> - Click &quot;Read Cube&quot;<br /> - Select &quot;Gaussian&quot;<br /> - Enter filename of density cube: '''jobname_dens.cube'''<br /> - Click &quot;Vr&quot; icon<br /> - Select &quot;Colour Mapped&quot;<br /> - Select &quot;Gaussian Cube&quot; under &quot;Select Types&quot; <br /> - Enter filename of electrostatic potential cube: '''jobname_esp.cube'''<br /> - Select output &quot;VRML2.0&quot;<br /> <br /> 4. Visualize .wrl file using software such as &quot;Chimera&quot; (http://www.cgl.ucsf.edu/chimera/)</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/electrostatic_potentials_2&diff=325851 2013-03-05T11:37:56Z

<p>Gvl07: /* Generating the Surface */</p> <hr /> <div>=Visualizing Electrostatic Potentials using Molden=<br /> <br /> ==Generating the Surface==<br /> <br /> 1. Generate formatted checkpoint file (either using formchk or adding the '''formcheck''' keyword to your input file)<br /> <br /> 2. Create cube files for the density and electrostatic potential using '''cubegen''':<br /> ''' cubegen 0 density jobname.fchk jobname_dens.cube 80 ''' <br /> '''cubegen 0 potential jobname.fchk jobname_esp.cube 80'''<br /> <br /> 3. Start Molden:<br /> - Click &quot;Dens.Mode&quot;<br /> - Click &quot;Read Cube&quot;<br /> - Select &quot;Gaussian&quot;<br /> - Enter filename of density cube: '''jobname_dens.cube'''<br /> - Click &quot;Vr&quot; icon<br /> - Select &quot;Colour Mapped&quot;<br /> - Select &quot;Gaussian Cube&quot; under &quot;Select Types&quot; <br /> - Enter filename of electrostatic potential cube: '''jobname_esp.cube'''<br /> - Select output &quot;VRML2.0&quot;<br /> <br /> 4. Visualize .wrl file using software such as &quot;Chimera&quot; (http://www.cgl.ucsf.edu/chimera/)</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/electrostatic_potentials_2&diff=325825 2013-03-05T11:02:51Z

<p>Gvl07: /* Generating the Surface */</p> <hr /> <div>=Visualizing Electrostatic Potentials using Molden=<br /> <br /> ==Generating the Surface==<br /> <br /> 1. Generate formatted checkpoint file (either using formchk or adding the '''formcheck''' keyword to your input file)<br /> <br /> 2. Create cube files for the density and electrostatic potential using '''cubegen''':<br /> ''' cubegen 0 density jobname.fchk jobname_dens.cube 80 ''' <br /> '''cubegen 0 potential jobname.fchk jobname_esp.cube 80'''<br /> <br /> 3. Start Molden:<br /> - Click &quot;Dens.Mode&quot;<br /> - Click &quot;Read Cube&quot;<br /> - Select &quot;Gaussian&quot;<br /> - Enter filename of density cube: '''jobname_dens.cube'''<br /> - Click &quot;Vr&quot; icon<br /> - Select &quot;Colour Mapped&quot;<br /> - Select &quot;Gaussian Cube&quot; under &quot;Select Types&quot; <br /> - Enter filename of electrostatic potential cube: '''jobname_esp.cube'''<br /> - Select output &quot;VRML2.0&quot;</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/electrostatic_potentials_2&diff=325817 2013-03-05T10:57:13Z

<p>Gvl07: /* Generating the Surface */</p> <hr /> <div>=Visualizing Electrostatic Potentials using Molden=<br /> <br /> ==Generating the Surface==<br /> <br /> 1. Generate formatted checkpoint file (either using formchk or adding the '''formcheck''' keyword to your input file)<br /> <br /> 2. Create cube files for the density and electrostatic potential using '''cubegen''':<br /> ''' cubegen 0 density jobname.fchk jobname_dens.cube 80 ''' <br /> '''cubegen 0 potential jobname.fchk jobname_esp.cube 80'''<br /> <br /> 3. Start Molden:<br /> - Click &quot;Dens.Mode&quot;<br /> - Click &quot;Read Cube&quot;<br /> - Select &quot;Gaussian&quot;<br /> - Enter filename of density cube: '''jobname_dens.cube'''</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/electrostatic_potentials_2&diff=325816 2013-03-05T10:52:58Z

<p>Gvl07: Created page with &quot;=Visualizing Electrostatic Potentials using Molden= ==Generating the Surface== 1. Generate formatted checkpoint file (either using formchk or adding the &#039;&#039;&#039;formcheck&#039;&#039;&#039; keyword...&quot;</p> <hr /> <div>=Visualizing Electrostatic Potentials using Molden=<br /> <br /> ==Generating the Surface==<br /> <br /> 1. Generate formatted checkpoint file (either using formchk or adding the '''formcheck''' keyword to your input file)<br /> <br /> 2. Create cube file for the electrostatic potential using '''cubegen''':<br /> e.g. '''cubegen 0 potential jobname.fchk jobname_esp.cube 80'''<br /> <br /> 3. Start Molden:</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group&diff=325808 2013-03-05T10:45:44Z

<p>Gvl07: /* Gaussian General */</p> <hr /> <div>==Hunt Group Wiki==<br /> <br /> Back to the main [http://www.ch.ic.ac.uk/hunt web-page]<br /> ===Resources===<br /> <br /> #Computing resources available in the chemistry department [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/computing_resources link] (notes by Tricia)<br /> <br /> ===Gaussian General===<br /> #A database of common errors encountered when running Gaussian jobs [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/gaussian_errors link] (notes by Everyone!)<br /> #Instructions for visualizing electrostatic potentials [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/electrostatic_potentials link] (notes by Flo)<br /> #Electrostatic Potentials II (Molden) [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/electrostatic_potentials_2 link] (notes by Gab)<br /> # [http://www.ch.ic.ac.uk/hunt/g03_man/index.htm G03 Manual]<br /> #How to turn a Gaussian optimization into a VMD movie [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/VMDmovie link] (notes by Heiko)<br /> #How to run NBO5.9 on the HPC [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/NBO5.9 link] (notes by Richard)<br /> #How to include dispersion [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/dispersion link] (notes by Bryan &amp; Richard)<br /> <br /> ===Unix and HPC===<br /> #Setting up a connection to HPC if you have a PC [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/hpc_connections link] (notes by Hieu) <br /> #How to fix Windows files under UNIX [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/Windowsfiles link] (notes by Heiko)<br /> #HPC servers and run scripts [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/hpc link] (notes by Tricia and Ling)]<br /> #How to make ssh more comfortable [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/pimpSSH link] (notes by Heiko)<br /> #How to set up a SSH keypair [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/SSHkeyfile link] (notes by Heiko)<br /> #How to use gaussview directly on the HPC [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/gview link] (notes by Heiko)<br /> #How to comfortably search through old BASH commands [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/searchbash link] (notes by Heiko)<br /> #How to connect to HPC directory on desktop for file transfers [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/hpc_Directory_on_desktop link] (notes by Rachael, Weihong and Ling)<br /> #How to set up cx2 [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/cx2 link] (notes by Ling)<br /> <br /> ===Installing and using packages===<br /> #CPMD: Car-Parrinello Molecular Dynamics [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/cpmd link] (notes by Ling)<br /> #Beginners guide to VMD: a molecular dynamics visualisation package [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/vmd link] (notes by Ling &amp; Bryan)<br /> #DLPOLY a MD simulation package, Installation on an IMac [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/dlpoly_install link] (notes by Ling)<br /> #How to install POLYRATE [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/polyrate link] (notes by Tricia)<br /> #How to install Geomview [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/geomview link] (notes by Tricia)<br /> #XMGRACE, gfortran, c compilers for Lion [http://hpc.sourceforge.net/] (Ling)<br /> #Visualising MOs using Jmol [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Mod:basic_jmol_instructions link] (notes by Bryan)<br /> <br /> ===Setup and Running MD Simulations===<br /> #How to run CPMD to study aqueous solutions [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/cpmd_water link] (notes by Ling)<br /> #How to run CP2K [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/cp2k_how link] (notes by Ling)<br /> #How to plot EMOs [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/emo link] (notes by Ling)<br /> #DL_POLY FAQs [http://www.stfc.ac.uk/cse/DL_POLY/ccp1gui/38621.aspx] from DL_POLY webpage.<br /> #Packmol for generating starting configurations [http://www.ime.unicamp.br/~martinez/packmol/] from Packmol webpage.<br /> #Getting the Force Field [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/Wheretostart link] (notes by Richard)<br /> #Choosing an Ensemble [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/Ensembles link] (notes by Richard)<br /> #Equilibration and production simulations [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/EquilibrationandProduction link] (notes by Richard)<br /> #Visualising your Simulation [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/VisualisingyourSimulation link] (notes by Richard)<br /> #Voids in ILs[https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/voids link] (notes by Ling)<br /> #How to equilibrate an MD run[https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/equilibration link] (notes by Tricia and Ling)]<br /> #Equilibration of [bmim][BF4] and [bmim][NO3][https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/BmimBF4_equilibration link] (notes by Ling)]<br /> #Summary of discussions with Ruth[https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/Aug09QtoRuth link] (notes by Ling and Tricia)]<br /> <br /> ===Research Notes===<br /> #Cl- in water [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/wannier_centre link] (notes by Ling)]<br /> #The use of Legendre time correlation functions to study reorientational dynamics in liquids[https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/legendre link] (notes by Yannis)<br /> #Functional for ILs using CPMD [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/IL_cpmd_functional link] (notes by Ling)<br /> #[bmim]Cl using CPMD [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/bmimCl_cpmd link] (notes by Ling)<br /> #[bmim]Cl using CP2K [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/bmimCl_cp2k link] (notes by Ling)<br /> #mman using CPMD and Gaussian [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/mman link] (notes by Ling)<br /> #[emim]SCN using CP2K[https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/emimscn link] (notes by Ling)<br /> #How to use Ling's emo plot code[https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/emoplot link] (notes by Ling)<br /> #CP2K Donts [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/cp2k link] (notes by Ling)<br /> #How to make VMD trajectory repeated periodically [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/vmd link] (notes by Ling)<br /> #Solving the angular part of the Schrödinger equation for a hydrogen atom [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/angular_schrodinger link] (notes by Vincent)<br /> <br /> ===CDT records===<br /> #Activities record [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/CDT_records records]<br /> <br /> ===Admin Stuff===<br /> #Not used to writing a wiki, make your test runs [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/testing on this page]<br /> #How to set-up new macs [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/mac_setup link] (notes by Tricia)<br /> #How to set-up remote desktop [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/mac_remote link] (notes by Tricia)<br /> #[https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/calendar Calendar] (notes by Tricia)<br /> #Demonstrating in the 3rd year computational chemistry lab [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/compchemlab Timetable] (notes by Tricia)<br /> #How to switch the printer HP CP3525dn duplex on and off [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/printing link] notes by Tricia</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group&diff=325806 2013-03-05T10:45:29Z

<p>Gvl07: /* Gaussian General */</p> <hr /> <div>==Hunt Group Wiki==<br /> <br /> Back to the main [http://www.ch.ic.ac.uk/hunt web-page]<br /> ===Resources===<br /> <br /> #Computing resources available in the chemistry department [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/computing_resources link] (notes by Tricia)<br /> <br /> ===Gaussian General===<br /> #A database of common errors encountered when running Gaussian jobs [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/gaussian_errors link] (notes by Everyone!)<br /> #Instructions for visualizing electrostatic potentials [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/electrostatic_potentials link] (notes by Flo)<br /> #Electrostatic Potentials II (Molden)[https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/electrostatic_potentials_2 link] (notes by Gab)<br /> # [http://www.ch.ic.ac.uk/hunt/g03_man/index.htm G03 Manual]<br /> #How to turn a Gaussian optimization into a VMD movie [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/VMDmovie link] (notes by Heiko)<br /> #How to run NBO5.9 on the HPC [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/NBO5.9 link] (notes by Richard)<br /> #How to include dispersion [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/dispersion link] (notes by Bryan &amp; Richard)<br /> <br /> ===Unix and HPC===<br /> #Setting up a connection to HPC if you have a PC [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/hpc_connections link] (notes by Hieu) <br /> #How to fix Windows files under UNIX [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/Windowsfiles link] (notes by Heiko)<br /> #HPC servers and run scripts [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/hpc link] (notes by Tricia and Ling)]<br /> #How to make ssh more comfortable [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/pimpSSH link] (notes by Heiko)<br /> #How to set up a SSH keypair [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/SSHkeyfile link] (notes by Heiko)<br /> #How to use gaussview directly on the HPC [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/gview link] (notes by Heiko)<br /> #How to comfortably search through old BASH commands [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/searchbash link] (notes by Heiko)<br /> #How to connect to HPC directory on desktop for file transfers [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/hpc_Directory_on_desktop link] (notes by Rachael, Weihong and Ling)<br /> #How to set up cx2 [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/cx2 link] (notes by Ling)<br /> <br /> ===Installing and using packages===<br /> #CPMD: Car-Parrinello Molecular Dynamics [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/cpmd link] (notes by Ling)<br /> #Beginners guide to VMD: a molecular dynamics visualisation package [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/vmd link] (notes by Ling &amp; Bryan)<br /> #DLPOLY a MD simulation package, Installation on an IMac [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/dlpoly_install link] (notes by Ling)<br /> #How to install POLYRATE [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/polyrate link] (notes by Tricia)<br /> #How to install Geomview [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/geomview link] (notes by Tricia)<br /> #XMGRACE, gfortran, c compilers for Lion [http://hpc.sourceforge.net/] (Ling)<br /> #Visualising MOs using Jmol [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Mod:basic_jmol_instructions link] (notes by Bryan)<br /> <br /> ===Setup and Running MD Simulations===<br /> #How to run CPMD to study aqueous solutions [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/cpmd_water link] (notes by Ling)<br /> #How to run CP2K [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/cp2k_how link] (notes by Ling)<br /> #How to plot EMOs [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/emo link] (notes by Ling)<br /> #DL_POLY FAQs [http://www.stfc.ac.uk/cse/DL_POLY/ccp1gui/38621.aspx] from DL_POLY webpage.<br /> #Packmol for generating starting configurations [http://www.ime.unicamp.br/~martinez/packmol/] from Packmol webpage.<br /> #Getting the Force Field [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/Wheretostart link] (notes by Richard)<br /> #Choosing an Ensemble [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/Ensembles link] (notes by Richard)<br /> #Equilibration and production simulations [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/EquilibrationandProduction link] (notes by Richard)<br /> #Visualising your Simulation [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/VisualisingyourSimulation link] (notes by Richard)<br /> #Voids in ILs[https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/voids link] (notes by Ling)<br /> #How to equilibrate an MD run[https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/equilibration link] (notes by Tricia and Ling)]<br /> #Equilibration of [bmim][BF4] and [bmim][NO3][https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/BmimBF4_equilibration link] (notes by Ling)]<br /> #Summary of discussions with Ruth[https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/Aug09QtoRuth link] (notes by Ling and Tricia)]<br /> <br /> ===Research Notes===<br /> #Cl- in water [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/wannier_centre link] (notes by Ling)]<br /> #The use of Legendre time correlation functions to study reorientational dynamics in liquids[https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/legendre link] (notes by Yannis)<br /> #Functional for ILs using CPMD [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/IL_cpmd_functional link] (notes by Ling)<br /> #[bmim]Cl using CPMD [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/bmimCl_cpmd link] (notes by Ling)<br /> #[bmim]Cl using CP2K [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/bmimCl_cp2k link] (notes by Ling)<br /> #mman using CPMD and Gaussian [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/mman link] (notes by Ling)<br /> #[emim]SCN using CP2K[https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/emimscn link] (notes by Ling)<br /> #How to use Ling's emo plot code[https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/emoplot link] (notes by Ling)<br /> #CP2K Donts [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/cp2k link] (notes by Ling)<br /> #How to make VMD trajectory repeated periodically [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/vmd link] (notes by Ling)<br /> #Solving the angular part of the Schrödinger equation for a hydrogen atom [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/angular_schrodinger link] (notes by Vincent)<br /> <br /> ===CDT records===<br /> #Activities record [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/CDT_records records]<br /> <br /> ===Admin Stuff===<br /> #Not used to writing a wiki, make your test runs [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/testing on this page]<br /> #How to set-up new macs [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/mac_setup link] (notes by Tricia)<br /> #How to set-up remote desktop [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/mac_remote link] (notes by Tricia)<br /> #[https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/calendar Calendar] (notes by Tricia)<br /> #Demonstrating in the 3rd year computational chemistry lab [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/compchemlab Timetable] (notes by Tricia)<br /> #How to switch the printer HP CP3525dn duplex on and off [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/printing link] notes by Tricia</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group&diff=325804 2013-03-05T10:44:50Z

<p>Gvl07: /* Gaussian General */</p> <hr /> <div>==Hunt Group Wiki==<br /> <br /> Back to the main [http://www.ch.ic.ac.uk/hunt web-page]<br /> ===Resources===<br /> <br /> #Computing resources available in the chemistry department [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/computing_resources link] (notes by Tricia)<br /> <br /> ===Gaussian General===<br /> #A database of common errors encountered when running Gaussian jobs [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/gaussian_errors link] (notes by Everyone!)<br /> #Instructions for visualizing electrostatic potentials [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/electrostatic_potentials link] (notes by Flo)<br /> #Electrostatic Potentials II (Molden) <br /> #[https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/electrostatic_potentials_2 link] (notes by Gab)<br /> # [http://www.ch.ic.ac.uk/hunt/g03_man/index.htm G03 Manual]<br /> #How to turn a Gaussian optimization into a VMD movie [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/VMDmovie link] (notes by Heiko)<br /> #How to run NBO5.9 on the HPC [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/NBO5.9 link] (notes by Richard)<br /> #How to include dispersion [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/dispersion link] (notes by Bryan &amp; Richard)<br /> <br /> ===Unix and HPC===<br /> #Setting up a connection to HPC if you have a PC [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/hpc_connections link] (notes by Hieu) <br /> #How to fix Windows files under UNIX [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/Windowsfiles link] (notes by Heiko)<br /> #HPC servers and run scripts [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/hpc link] (notes by Tricia and Ling)]<br /> #How to make ssh more comfortable [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/pimpSSH link] (notes by Heiko)<br /> #How to set up a SSH keypair [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/SSHkeyfile link] (notes by Heiko)<br /> #How to use gaussview directly on the HPC [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/gview link] (notes by Heiko)<br /> #How to comfortably search through old BASH commands [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/searchbash link] (notes by Heiko)<br /> #How to connect to HPC directory on desktop for file transfers [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/hpc_Directory_on_desktop link] (notes by Rachael, Weihong and Ling)<br /> #How to set up cx2 [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/cx2 link] (notes by Ling)<br /> <br /> ===Installing and using packages===<br /> #CPMD: Car-Parrinello Molecular Dynamics [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/cpmd link] (notes by Ling)<br /> #Beginners guide to VMD: a molecular dynamics visualisation package [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/vmd link] (notes by Ling &amp; Bryan)<br /> #DLPOLY a MD simulation package, Installation on an IMac [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/dlpoly_install link] (notes by Ling)<br /> #How to install POLYRATE [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/polyrate link] (notes by Tricia)<br /> #How to install Geomview [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/geomview link] (notes by Tricia)<br /> #XMGRACE, gfortran, c compilers for Lion [http://hpc.sourceforge.net/] (Ling)<br /> #Visualising MOs using Jmol [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Mod:basic_jmol_instructions link] (notes by Bryan)<br /> <br /> ===Setup and Running MD Simulations===<br /> #How to run CPMD to study aqueous solutions [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/cpmd_water link] (notes by Ling)<br /> #How to run CP2K [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/cp2k_how link] (notes by Ling)<br /> #How to plot EMOs [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/emo link] (notes by Ling)<br /> #DL_POLY FAQs [http://www.stfc.ac.uk/cse/DL_POLY/ccp1gui/38621.aspx] from DL_POLY webpage.<br /> #Packmol for generating starting configurations [http://www.ime.unicamp.br/~martinez/packmol/] from Packmol webpage.<br /> #Getting the Force Field [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/Wheretostart link] (notes by Richard)<br /> #Choosing an Ensemble [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/Ensembles link] (notes by Richard)<br /> #Equilibration and production simulations [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/EquilibrationandProduction link] (notes by Richard)<br /> #Visualising your Simulation [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/VisualisingyourSimulation link] (notes by Richard)<br /> #Voids in ILs[https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/voids link] (notes by Ling)<br /> #How to equilibrate an MD run[https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/equilibration link] (notes by Tricia and Ling)]<br /> #Equilibration of [bmim][BF4] and [bmim][NO3][https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/BmimBF4_equilibration link] (notes by Ling)]<br /> #Summary of discussions with Ruth[https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/Aug09QtoRuth link] (notes by Ling and Tricia)]<br /> <br /> ===Research Notes===<br /> #Cl- in water [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/wannier_centre link] (notes by Ling)]<br /> #The use of Legendre time correlation functions to study reorientational dynamics in liquids[https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/legendre link] (notes by Yannis)<br /> #Functional for ILs using CPMD [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/IL_cpmd_functional link] (notes by Ling)<br /> #[bmim]Cl using CPMD [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/bmimCl_cpmd link] (notes by Ling)<br /> #[bmim]Cl using CP2K [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/bmimCl_cp2k link] (notes by Ling)<br /> #mman using CPMD and Gaussian [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/mman link] (notes by Ling)<br /> #[emim]SCN using CP2K[https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/emimscn link] (notes by Ling)<br /> #How to use Ling's emo plot code[https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/emoplot link] (notes by Ling)<br /> #CP2K Donts [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/cp2k link] (notes by Ling)<br /> #How to make VMD trajectory repeated periodically [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/vmd link] (notes by Ling)<br /> #Solving the angular part of the Schrödinger equation for a hydrogen atom [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/angular_schrodinger link] (notes by Vincent)<br /> <br /> ===CDT records===<br /> #Activities record [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/CDT_records records]<br /> <br /> ===Admin Stuff===<br /> #Not used to writing a wiki, make your test runs [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/testing on this page]<br /> #How to set-up new macs [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/mac_setup link] (notes by Tricia)<br /> #How to set-up remote desktop [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/mac_remote link] (notes by Tricia)<br /> #[https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/calendar Calendar] (notes by Tricia)<br /> #Demonstrating in the 3rd year computational chemistry lab [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/compchemlab Timetable] (notes by Tricia)<br /> #How to switch the printer HP CP3525dn duplex on and off [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/printing link] notes by Tricia</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group&diff=325802 2013-03-05T10:44:06Z

<p>Gvl07: </p> <hr /> <div>==Hunt Group Wiki==<br /> <br /> Back to the main [http://www.ch.ic.ac.uk/hunt web-page]<br /> ===Resources===<br /> <br /> #Computing resources available in the chemistry department [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/computing_resources link] (notes by Tricia)<br /> <br /> ===Gaussian General===<br /> #A database of common errors encountered when running Gaussian jobs [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/gaussian_errors link] (notes by Everyone!)<br /> #Instructions for visualizing electrostatic potentials [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/electrostatic_potentials link] (notes by Flo)<br /> #Electrostatic Potentials II (Molden) <br /> [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/electrostatic_potentials_2 link] (notes by Gab)<br /> # [http://www.ch.ic.ac.uk/hunt/g03_man/index.htm G03 Manual]<br /> #How to turn a Gaussian optimization into a VMD movie [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/VMDmovie link] (notes by Heiko)<br /> #How to run NBO5.9 on the HPC [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/NBO5.9 link] (notes by Richard)<br /> #How to include dispersion [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/dispersion link] (notes by Bryan &amp; Richard)<br /> <br /> ===Unix and HPC===<br /> #Setting up a connection to HPC if you have a PC [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/hpc_connections link] (notes by Hieu) <br /> #How to fix Windows files under UNIX [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/Windowsfiles link] (notes by Heiko)<br /> #HPC servers and run scripts [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/hpc link] (notes by Tricia and Ling)]<br /> #How to make ssh more comfortable [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/pimpSSH link] (notes by Heiko)<br /> #How to set up a SSH keypair [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/SSHkeyfile link] (notes by Heiko)<br /> #How to use gaussview directly on the HPC [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/gview link] (notes by Heiko)<br /> #How to comfortably search through old BASH commands [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/searchbash link] (notes by Heiko)<br /> #How to connect to HPC directory on desktop for file transfers [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/hpc_Directory_on_desktop link] (notes by Rachael, Weihong and Ling)<br /> #How to set up cx2 [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/cx2 link] (notes by Ling)<br /> <br /> ===Installing and using packages===<br /> #CPMD: Car-Parrinello Molecular Dynamics [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/cpmd link] (notes by Ling)<br /> #Beginners guide to VMD: a molecular dynamics visualisation package [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/vmd link] (notes by Ling &amp; Bryan)<br /> #DLPOLY a MD simulation package, Installation on an IMac [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/dlpoly_install link] (notes by Ling)<br /> #How to install POLYRATE [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/polyrate link] (notes by Tricia)<br /> #How to install Geomview [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/geomview link] (notes by Tricia)<br /> #XMGRACE, gfortran, c compilers for Lion [http://hpc.sourceforge.net/] (Ling)<br /> #Visualising MOs using Jmol [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Mod:basic_jmol_instructions link] (notes by Bryan)<br /> <br /> ===Setup and Running MD Simulations===<br /> #How to run CPMD to study aqueous solutions [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/cpmd_water link] (notes by Ling)<br /> #How to run CP2K [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/cp2k_how link] (notes by Ling)<br /> #How to plot EMOs [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/emo link] (notes by Ling)<br /> #DL_POLY FAQs [http://www.stfc.ac.uk/cse/DL_POLY/ccp1gui/38621.aspx] from DL_POLY webpage.<br /> #Packmol for generating starting configurations [http://www.ime.unicamp.br/~martinez/packmol/] from Packmol webpage.<br /> #Getting the Force Field [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/Wheretostart link] (notes by Richard)<br /> #Choosing an Ensemble [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/Ensembles link] (notes by Richard)<br /> #Equilibration and production simulations [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/EquilibrationandProduction link] (notes by Richard)<br /> #Visualising your Simulation [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/VisualisingyourSimulation link] (notes by Richard)<br /> #Voids in ILs[https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/voids link] (notes by Ling)<br /> #How to equilibrate an MD run[https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/equilibration link] (notes by Tricia and Ling)]<br /> #Equilibration of [bmim][BF4] and [bmim][NO3][https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/BmimBF4_equilibration link] (notes by Ling)]<br /> #Summary of discussions with Ruth[https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/Aug09QtoRuth link] (notes by Ling and Tricia)]<br /> <br /> ===Research Notes===<br /> #Cl- in water [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/wannier_centre link] (notes by Ling)]<br /> #The use of Legendre time correlation functions to study reorientational dynamics in liquids[https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/legendre link] (notes by Yannis)<br /> #Functional for ILs using CPMD [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/IL_cpmd_functional link] (notes by Ling)<br /> #[bmim]Cl using CPMD [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/bmimCl_cpmd link] (notes by Ling)<br /> #[bmim]Cl using CP2K [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/bmimCl_cp2k link] (notes by Ling)<br /> #mman using CPMD and Gaussian [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/mman link] (notes by Ling)<br /> #[emim]SCN using CP2K[https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/emimscn link] (notes by Ling)<br /> #How to use Ling's emo plot code[https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/emoplot link] (notes by Ling)<br /> #CP2K Donts [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/cp2k link] (notes by Ling)<br /> #How to make VMD trajectory repeated periodically [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/vmd link] (notes by Ling)<br /> #Solving the angular part of the Schrödinger equation for a hydrogen atom [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/angular_schrodinger link] (notes by Vincent)<br /> <br /> ===CDT records===<br /> #Activities record [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/CDT_records records]<br /> <br /> ===Admin Stuff===<br /> #Not used to writing a wiki, make your test runs [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/testing on this page]<br /> #How to set-up new macs [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/mac_setup link] (notes by Tricia)<br /> #How to set-up remote desktop [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/mac_remote link] (notes by Tricia)<br /> #[https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/calendar Calendar] (notes by Tricia)<br /> #Demonstrating in the 3rd year computational chemistry lab [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/compchemlab Timetable] (notes by Tricia)<br /> #How to switch the printer HP CP3525dn duplex on and off [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/printing link] notes by Tricia</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/calendar&diff=280282 2012-11-22T11:38:41Z

<p>Gvl07: /* Calendar */</p> <hr /> <div>== Calendar ==<br /> <br /> *Tricia (Done)<br /> *Abdihakim Hassan (Not done)<br /> *Bryan Ward (Done)<br /> *Claire Ashworth (Done)<br /> *Matthew Clough (Done)<br /> *Dimitrios Katsikadakos (Not done)<br /> *Ling Ge (Done)<br /> *Precious Ugbomah (done)<br /> *Richard Matthews (Not done) <br /> *Wendy Kuo (Not done)<br /> *Vincent Chen (Done)<br /> *Gabriel Lau (Done)<br /> *Sarah Smith (Not done)<br /> <br /> &lt;br/&gt;<br /> &lt;table border=&quot;1&quot; cellpadding=&quot;5&quot;&gt;<br /> &lt;tr bgcolor=&quot;#66CCFF&quot;&gt;<br /> &lt;th width=&quot;115px&quot;&gt;Mon&lt;/th&gt;<br /> &lt;th width=&quot;115px&quot;&gt;Tues&lt;/th&gt;<br /> &lt;th width=&quot;115px&quot;&gt;Wed&lt;/th&gt;<br /> &lt;th width=&quot;115px&quot;&gt;Thur&lt;/th&gt;<br /> &lt;th width=&quot;115px&quot;&gt;Fri&lt;/th&gt;<br /> &lt;th width=&quot;115px&quot; bgcolor=&quot;#CCCCCC&quot;&gt;Sat&lt;/th&gt;<br /> &lt;th width=&quot;115px&quot; bgcolor=&quot;#CCCCCC&quot;&gt;Sun&lt;/th&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;26th November&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;27th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;28th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;29th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;30th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;1st December&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;2nd &lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;3rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;4th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;5th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;6th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;7th&lt;br&gt;Matthew Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;8th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;9th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;10th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;11th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;12th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;13th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#FFCCFF&quot;&gt;14th&lt;br&gt;End of Autumn Term &lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;15th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;16th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;17th&lt;br&gt;Tricia-CDT away day&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;18th&lt;br&gt;Tricia-CDT away day&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;19th&lt;br&gt;Tricia-Home&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;20th&lt;br&gt;Tricia-holdiay,Precious home&lt;/td&gt;<br /> &lt;td&gt;21st&lt;br&gt;Tricia-holiday&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;22nd&lt;br&gt;''College Closed'' &lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;23rd&lt;br&gt;''College Closed'' &lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;24th&lt;br&gt;''College Closed'' &lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;25th&lt;br&gt;''College Closed'' &lt;br&gt;'''Christmas Day'''&lt;br&gt;&lt;/td&gt; <br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;26th&lt;br&gt;''College Closed''&lt;br&gt;'''Boxing Day'''&lt;br&gt;&lt;/td&gt; <br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;27th&lt;br&gt;''College Closed''&lt;br&gt;&lt;/td&gt; <br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;28th&lt;br&gt;''College Closed''&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;29th&lt;br&gt;''College Closed''&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;30th&lt;br&gt;''College Closed''&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;31st&lt;br&gt;''College Closed'' &lt;br&gt; '''New Year's Eve'''&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;1st January&lt;br&gt;''College Closed'' &lt;br&gt; '''New Year's Day'''&lt;br&gt;&lt;/td&gt; <br /> &lt;td&gt;2nd&lt;br&gt;Tricia, Claire, Sarah, Bryan Home, Precious home&lt;/td&gt;<br /> &lt;td&gt;3rd&lt;br&gt;Tricia, Sarah, Bryan Home, precious home&lt;/td&gt;<br /> &lt;td&gt;4th&lt;br&gt;Tricia, Matthew, Bryan Home, precious home&lt;br&gt;&lt;/td&gt; <br /> &lt;td bgcolor=&quot;#FFCCFF&quot;&gt;5th&lt;br&gt;Start of Spring Term&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;6th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;7th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;8th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;9th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;10th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;11th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;12th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;13th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;14th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;15th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;16th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;17th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;18th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt; 19th &lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt; 20th &lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;21st&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;22nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;23rd&lt;br&gt;Claire Away&lt;/td&gt;<br /> &lt;td&gt;24th&lt;br&gt;Claire Away&lt;/td&gt;<br /> &lt;td&gt;25th&lt;br&gt;Claire Away&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;26th&lt;br&gt;Claire Away&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;27th&lt;br&gt;Claire Away&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;28th&lt;br&gt;Claire Away&lt;/td&gt;<br /> &lt;td&gt;29th &lt;br&gt;Claire Away&lt;/td&gt;<br /> &lt;td&gt;30th &lt;br&gt;Claire Away&lt;/td&gt;<br /> &lt;td&gt;31st &lt;br&gt;Claire Away&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;1st February &lt;br&gt;Claire Away&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;2nd &lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;3rd &lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;4th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;5th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;6th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;7th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;8th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;9th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;10th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;11th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;12th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;13th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;14th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;15th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;16th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;17th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;18th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;19th&lt;/td&gt;<br /> &lt;td&gt;20th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;21st&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;22nd&lt;br&gt; &lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;23rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;24th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;25th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;26th&lt;br&gt;&lt;/td&gt; <br /> &lt;td&gt;27th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;28th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;1st March&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;2nd&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;3rd&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td &gt;4th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;5th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;6th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;7th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;8th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;9th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;10th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;11th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;12th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;13th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;14th&lt;br&gt;&lt;br&gt; &lt;/td&gt;<br /> &lt;td&gt;15th&lt;br&gt;&lt;br&gt; &lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;16th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;17th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;18th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;19th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;20th&lt;br&gt;&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;21st&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#FFCCFF&quot;&gt;22nd&lt;br&gt;End of Spring Term&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;23rd&lt;br&gt; &lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;24th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;&lt;br&gt;25th&lt;/td&gt;<br /> &lt;td&gt;26th&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;27th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;28th&lt;br&gt;College Closed&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;29th&lt;br&gt;College Closed&lt;br&gt;'''Good Friday'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;30th&lt;br&gt; College Closed&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;31st&lt;br&gt; College Closed &lt;br&gt; '''Easter Sunday'''&lt;/td&gt;<br /> &lt;/tr&gt;<br /> <br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;1st April&lt;br&gt;College Closed&lt;br&gt;'''Easter Monday'''&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;2nd&lt;br&gt;College Closed&lt;/td&gt;<br /> &lt;td&gt;3rd&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;4th&lt;br&gt; &lt;/td&gt;<br /> &lt;td&gt;5th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;6th&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;7th&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;/table&gt;</div>

Gvl07 https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/calendar&diff=255056 2012-06-15T15:34:24Z

<p>Gvl07: /* Calendar */</p> <hr /> <div>== Calendar ==<br /> <br /> *Tricia (done)<br /> *Abdihakim Hassan (done)<br /> *Bryan Ward (not done)<br /> *Claire Ashworth (Done)<br /> *Matthew Clough (Done)<br /> *Dimitrios Katsikadakos (not done)<br /> *Ling Ge (done)<br /> *Precious Ugbomah (Done)<br /> *Richard Matthews (Done) <br /> *Wendy Kuo (done)<br /> *Vincent Chen (Done)<br /> *Gabriel Lau (Done)<br /> &lt;br/&gt;<br /> &lt;table border=&quot;1&quot; cellpadding=&quot;5&quot;&gt;<br /> &lt;tr bgcolor=&quot;#66CCFF&quot;&gt;<br /> &lt;th width=&quot;90px&quot;&gt;Mon&lt;/th&gt;<br /> &lt;th width=&quot;90px&quot;&gt;Tues&lt;/th&gt;<br /> &lt;th width=&quot;90px&quot;&gt;Wed&lt;/th&gt;<br /> &lt;th width=&quot;90px&quot;&gt;Thur&lt;/th&gt;<br /> &lt;th width=&quot;90px&quot;&gt;Fri&lt;/th&gt;<br /> &lt;th width=&quot;90px&quot; bgcolor=&quot;#CCCCCC&quot;&gt;Sat&lt;/th&gt;<br /> &lt;th width=&quot;90px&quot; bgcolor=&quot;#CCCCCC&quot;&gt;Sun&lt;/th&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;June 4&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;5&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;6&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;7&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;8&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;9&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;10&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;11&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;12&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;13&lt;br&gt;Richard Workshop (Afternoon)&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;14&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;15&lt;br&gt;Ling working from Home&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;16&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;17&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;18&lt;br&gt;Bryan &amp; Precious Summer School&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;19&lt;br&gt;Bryan &amp; Precious Summer School&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;20&lt;br&gt;Bryan &amp; Precious Summer School&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;21&lt;br&gt;Bryan &amp; Precious Summer School&lt;br&gt;Richard Workshop&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;22&lt;br&gt;Bryan &amp; Precious Summer School&lt;br&gt;Ling working from Home&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;23&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;24&lt;br&gt;Richard CMS2012&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;25&lt;br&gt;Richard CMS2012&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;26&lt;br&gt;Richard CMS2012&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;27&lt;br&gt;Richard CMS2012&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;28&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#954645&quot;&gt;29 Summer Term Ends &lt;br&gt;Ling working from Home &lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;30&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;July 1&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;2&lt;br&gt;Claire away(P)&lt;/td&gt;<br /> &lt;td&gt;3&lt;br&gt;Claire away&lt;/td&gt; <br /> &lt;td&gt;4&lt;br&gt;&lt;/td&gt; <br /> &lt;td&gt;5&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;6&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;7&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;8&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;9&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;10&lt;br&gt;&lt;/td&gt; <br /> &lt;td&gt;11&lt;br&gt;&lt;/td&gt; <br /> &lt;td&gt;12&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;13&lt;br&gt;&lt;/td&gt; <br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;14&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;15&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;16&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;17&lt;br&gt;Richard Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;18&lt;br&gt;Richard Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;19&lt;br&gt;Richard Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;20&lt;br&gt;Richard Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;21&lt;br&gt;Richard Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;22&lt;br&gt;Richard Away&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;23&lt;br&gt;Richard Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;24&lt;br&gt;Richard Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;25&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;26&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;27 Olympics&lt;br&gt; &lt;/td&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;28 Olympics&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;29 Olympics&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;30 Olympics&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;31 Olympics&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;August 1 Olympics&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;2 Olympics&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;3 Olympics&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;4 Olympics&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;5 Olympics&lt;br&gt;&lt;/td&gt;<br /> &lt;/tr&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;6 Olympics&lt;br&gt;Claire away(P)&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;7 Olympics&lt;br&gt;Claire away(P)&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;8 Olympics&lt;br&gt;Claire away(P)&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;9 Olympics&lt;br&gt;Claire away(P) &lt;/td&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;10 Olympics&lt;br&gt;Claire away(P) &lt;/td&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;11 Olympics&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#2E8B57&quot;&gt;12 Olympics&lt;br&gt;&lt;/td&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;13&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;14&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;15&lt;br&gt;Tricia away&lt;/td&gt;<br /> &lt;td&gt;16&lt;br&gt;Tricia away&lt;/td&gt;<br /> &lt;td&gt;17&lt;br&gt;Tricia away&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;18&lt;br&gt;Tricia away&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;19&lt;br&gt;Tricia away&lt;/td&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;20&lt;br&gt;Tricia away&lt;br&gt;Ling FT&lt;/td&gt;<br /> &lt;td&gt;21&lt;br&gt;Ling FT&lt;/td&gt;<br /> &lt;td&gt;22&lt;br&gt;Ling FT&lt;/td&gt;<br /> &lt;td&gt;23&lt;br&gt;Ling FT &lt;/td&gt;<br /> &lt;td&gt;24&lt;br&gt;Ling FT&lt;br&gt;Matthew Away &lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;25&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;26&lt;br&gt;&lt;/td&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;27&lt;br&gt;Ling FT&lt;br&gt;Matthew Away &lt;/td&gt;<br /> &lt;td&gt;28&lt;br&gt;Ling FT&lt;/td&gt;<br /> &lt;td&gt;29&lt;br&gt;Ling FT&lt;/td&gt;<br /> &lt;td&gt;30&lt;br&gt;Ling FT &lt;/td&gt;<br /> &lt;td&gt;31&lt;br&gt;Ling FT &lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;September 1&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;2&lt;br&gt;&lt;/td&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;3&lt;br&gt;Tricia NZ&lt;br&gt; Ling FT&lt;br&gt; precious away&lt;/td&gt;<br /> &lt;td&gt;4&lt;br&gt;Tricia NZ&lt;br&gt; Ling Science Festival Aberdee&lt;br&gt; precious away&lt;/td&gt; <br /> &lt;td&gt;5&lt;br&gt;Tricia NZ&lt;br&gt; Ling SFA &lt;br&gt; precious away&lt;/td&gt;<br /> &lt;td&gt;6&lt;br&gt;Tricia NZ&lt;br&gt; Ling SFA&lt;br&gt; precious away&lt;/td&gt;<br /> &lt;td&gt;7&lt;br&gt;Tricia NZ&lt;br&gt; Ling SFA&lt;br&gt; precious away&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;8&lt;br&gt;Tricia NZ&lt;br&gt; Ling SFA&lt;br&gt; precious away&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;9&lt;br&gt;Tricia NZ&lt;br&gt;Ling SFA&lt;br&gt; precious away&lt;/td&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;10&lt;br&gt;Tricia NZ&lt;br&gt;Matthew Away (Durham)&lt;br&gt;Ling FT&lt;/td&gt;<br /> &lt;td&gt;11&lt;br&gt;Tricia NZ&lt;br&gt;Matthew Away (Durham)&lt;br&gt;Ling FT&lt;/td&gt;<br /> &lt;td&gt;12&lt;br&gt;Tricia NZ&lt;br&gt;Matthew Away (Durham)&lt;br&gt;Ling FT&lt;/td&gt;<br /> &lt;td&gt;13&lt;br&gt;Tricia NZ&lt;br&gt;Matthew Away (Durham)&lt;br&gt;Ling FT &lt;/td&gt;<br /> &lt;td&gt;14&lt;br&gt;Tricia NZ&lt;br&gt;Ling FT &lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;15&lt;br&gt;Tricia NZ&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;16&lt;br&gt;Tricia NZ&lt;br&gt;&lt;/td&gt;<br /> <br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;17&lt;br&gt;Tricia NZ&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;18&lt;br&gt;Tricia NZ&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;19&lt;br&gt;Tricia NZ&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;20&lt;br&gt;Tricia NZ&lt;br&gt; &lt;/td&gt;<br /> &lt;td&gt;21&lt;br&gt;Tricia NZ&lt;br&gt; &lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;22&lt;br&gt;Tricia NZ&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;23&lt;br&gt;Tricia NZ&lt;br&gt;&lt;/td&gt;<br /> <br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;24&lt;br&gt;Tricia NZ&lt;br&gt;Matthew Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;25&lt;br&gt;Tricia NZ&lt;br&gt;Matthew Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;26&lt;br&gt;Tricia NZ&lt;br&gt;Matthew Away&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;27&lt;br&gt;Matthew Away &lt;/td&gt;<br /> &lt;td&gt;28&lt;br&gt;Matthew Away &lt;/td&gt;<br /> &lt;td bgcolor=&quot;#954645&quot;&gt;29 Autumn Term Starts &lt;br&gt; &lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;30&lt;br&gt;&lt;/td&gt;<br /> <br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;October 1&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;2&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;3&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;4&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;5&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;6&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;7&lt;br&gt;&lt;/td&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;8&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;9&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;10&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;11&lt;br&gt; &lt;/td&gt;<br /> &lt;td&gt;12&lt;br&gt; &lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;13&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;14&lt;br&gt;&lt;/td&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;15&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;16&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;17&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;18&lt;br&gt; &lt;/td&gt;<br /> &lt;td&gt;19&lt;br&gt; &lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;20&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;21&lt;br&gt;&lt;/td&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;22&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;23&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;24&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;25&lt;br&gt; &lt;/td&gt;<br /> &lt;td&gt;26&lt;br&gt; &lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;27&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;28&lt;br&gt;&lt;/td&gt;<br /> &lt;tr valign=&quot;top&quot;&gt;<br /> &lt;td&gt;29&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;30&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;31&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#4357CFF&quot;&gt;November 1&lt;br&gt;&lt;/td&gt;<br /> &lt;td&gt;2&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;3&lt;br&gt;&lt;/td&gt;<br /> &lt;td bgcolor=&quot;#CCCCCC&quot;&gt;4&lt;br&gt;&lt;/td&gt;<br /> <br /> <br /> &lt;/tr&gt;<br /> &lt;/table&gt;</div>

Gvl07