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	<updated>2026-04-09T13:27:05Z</updated>
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	<entry>
		<id>https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/calendar&amp;diff=630557</id>
		<title>Mod:Hunt Research Group/calendar</title>
		<link rel="alternate" type="text/html" href="https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/calendar&amp;diff=630557"/>
		<updated>2017-06-26T10:57:17Z</updated>

		<summary type="html">&lt;p&gt;Np116: /* Calendar */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;Back to the main [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group wiki-page]&lt;br /&gt;
== Calendar ==&lt;br /&gt;
&lt;br /&gt;
{| class=&amp;quot;wikitable&amp;quot;&lt;br /&gt;
|-  &lt;br /&gt;
! 1 &lt;br /&gt;
! 2 &lt;br /&gt;
! 3 &lt;br /&gt;
|-&lt;br /&gt;
| Tricia (Done) &lt;br /&gt;
| Nukorn  (Done)&lt;br /&gt;
| Becky (Not done)&lt;br /&gt;
|-  &lt;br /&gt;
| Richard (Not done)&lt;br /&gt;
| Ken (Done)&lt;br /&gt;
| Sophie (Done)&lt;br /&gt;
|-  &lt;br /&gt;
| Mikkaila (Done)&lt;br /&gt;
| Lennart Frankemoelle (not done)&lt;br /&gt;
|&lt;br /&gt;
|-&lt;br /&gt;
|-)&lt;br /&gt;
|}&lt;br /&gt;
Everyone should be away during the college closure dates, so you don&#039;t need to add your name on those days&lt;br /&gt;
&lt;br /&gt;
Tricia maybe: Tricia may or may-not be in college i.e. working from home&lt;br /&gt;
{| class=&amp;quot;wikitable&amp;quot; style=&amp;quot;width: 100%&amp;quot;  &lt;br /&gt;
  !Mon&lt;br /&gt;
  !Tue&lt;br /&gt;
  !Wed&lt;br /&gt;
  !Thur&lt;br /&gt;
  !Fri&lt;br /&gt;
  !Sat&lt;br /&gt;
  !Sun&lt;br /&gt;
|-&lt;br /&gt;
    | style=&amp;quot;background: yellow;&amp;quot; |5th June&lt;br /&gt;
 |6th&lt;br /&gt;
 |7th&lt;br /&gt;
 |8th&lt;br /&gt;
 |9th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |10th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |11th&lt;br /&gt;
|-&lt;br /&gt;
|12th&lt;br /&gt;
|13th&lt;br /&gt;
|14th&lt;br /&gt;
|15th&lt;br /&gt;
|16th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |17th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |18th&lt;br /&gt;
|-&lt;br /&gt;
|19th&lt;br /&gt;
|20th&lt;br /&gt;
|21st&lt;br /&gt;
|22nd&lt;br /&gt;
|23rd&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |24th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |25th&lt;br /&gt;
|-&lt;br /&gt;
|26th&lt;br /&gt;
Mikkaila Away&lt;br /&gt;
|27th&lt;br /&gt;
|28th&lt;br /&gt;
Sophie Away&lt;br /&gt;
|29th&lt;br /&gt;
Sophie Away&lt;br /&gt;
|30th&lt;br /&gt;
Ken Away&lt;br /&gt;
&lt;br /&gt;
Sophie Away&lt;br /&gt;
&lt;br /&gt;
Mikkaila Away&lt;br /&gt;
   | style=&amp;quot;background: yellow;&amp;quot; |1st July&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |2nd&lt;br /&gt;
|-&lt;br /&gt;
|3rd&lt;br /&gt;
Ken Away&lt;br /&gt;
|4th &lt;br /&gt;
|5th  &lt;br /&gt;
|6th &lt;br /&gt;
|7th &lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |8th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |9th&lt;br /&gt;
|-&lt;br /&gt;
|10th&lt;br /&gt;
Tricia Away&lt;br /&gt;
|11th&lt;br /&gt;
Tricia Away&lt;br /&gt;
|12th&lt;br /&gt;
Tricia Away&lt;br /&gt;
|13th&lt;br /&gt;
Tricia Away&lt;br /&gt;
|14th&lt;br /&gt;
Tricia Away&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |15th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |16th&lt;br /&gt;
|-&lt;br /&gt;
|17th&lt;br /&gt;
Tricia Away&lt;br /&gt;
|18th&lt;br /&gt;
Sophie Away&lt;br /&gt;
&lt;br /&gt;
Tricia Away&lt;br /&gt;
|19th&lt;br /&gt;
Tricia Away&lt;br /&gt;
|20th&lt;br /&gt;
Tricia Away&lt;br /&gt;
|21st&lt;br /&gt;
Tricia Away&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |22nd&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |23rd&lt;br /&gt;
|-&lt;br /&gt;
|24th&lt;br /&gt;
|25th&lt;br /&gt;
|26th&lt;br /&gt;
|27th&lt;br /&gt;
|28th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |29th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |30th&lt;br /&gt;
&lt;br /&gt;
|-&lt;br /&gt;
|31st&lt;br /&gt;
   | style=&amp;quot;background: yellow;&amp;quot; |1st Aug &lt;br /&gt;
&lt;br /&gt;
|2nd&lt;br /&gt;
|3rd&lt;br /&gt;
Tricia Away&lt;br /&gt;
|4th&lt;br /&gt;
Tricia Away&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |5th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |6th&lt;br /&gt;
|-&lt;br /&gt;
|7th&lt;br /&gt;
Tricia Away&lt;br /&gt;
|8th&lt;br /&gt;
Tricia Away&lt;br /&gt;
|9th&lt;br /&gt;
Tricia Away&lt;br /&gt;
|10th&lt;br /&gt;
Tricia Away&lt;br /&gt;
|11th&lt;br /&gt;
Tricia Away&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |12th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |13th&lt;br /&gt;
|-&lt;br /&gt;
|14th&lt;br /&gt;
Tricia Away&lt;br /&gt;
|15th&lt;br /&gt;
Tricia Away&lt;br /&gt;
|16th&lt;br /&gt;
|17th&lt;br /&gt;
|18th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |19th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |20th&lt;br /&gt;
|-&lt;br /&gt;
|21st&lt;br /&gt;
Ken Away&lt;br /&gt;
|22nd&lt;br /&gt;
Ken Away&lt;br /&gt;
|23rd&lt;br /&gt;
Ken Away&lt;br /&gt;
|24th&lt;br /&gt;
Ken Away&lt;br /&gt;
|25th&lt;br /&gt;
Ken Away&lt;br /&gt;
&lt;br /&gt;
Nukorn Away&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |26th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |27th&lt;br /&gt;
|-&lt;br /&gt;
|28th&lt;br /&gt;
BANK HOLIDAY&lt;br /&gt;
|29th&lt;br /&gt;
Ken Away&lt;br /&gt;
&lt;br /&gt;
Mikkaila Away&lt;br /&gt;
&lt;br /&gt;
Nukorn Away&lt;br /&gt;
|30th&lt;br /&gt;
Ken Away&lt;br /&gt;
&lt;br /&gt;
Mikkaila Away&lt;br /&gt;
&lt;br /&gt;
Nukorn Away&lt;br /&gt;
|31st&lt;br /&gt;
Mikkaila Away&lt;br /&gt;
&lt;br /&gt;
Nukorn Away&lt;br /&gt;
   | style=&amp;quot;background: yellow;&amp;quot; |1st Sept&lt;br /&gt;
Mikkaila Away&lt;br /&gt;
&lt;br /&gt;
Nukorn Away&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |2nd&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |3rd&lt;br /&gt;
|-&lt;br /&gt;
|4th&lt;br /&gt;
|5th&lt;br /&gt;
|6th&lt;br /&gt;
|7th&lt;br /&gt;
|8th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |9th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |10th&lt;br /&gt;
|-&lt;br /&gt;
|11th&lt;br /&gt;
Tricia Away&lt;br /&gt;
|12th&lt;br /&gt;
Tricia Away&lt;br /&gt;
|13th&lt;br /&gt;
Tricia Away&lt;br /&gt;
&lt;br /&gt;
Nukorn Away&lt;br /&gt;
|14th&lt;br /&gt;
Nukorn Away&lt;br /&gt;
|15th&lt;br /&gt;
Nukorn Away&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |16th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |17th&lt;br /&gt;
|-&lt;br /&gt;
|18th&lt;br /&gt;
Nukorn Away&lt;br /&gt;
|19ht&lt;br /&gt;
Nukorn Away&lt;br /&gt;
|20th&lt;br /&gt;
Nukorn Away&lt;br /&gt;
|21st&lt;br /&gt;
|22nd&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |23rd&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |24th&lt;br /&gt;
|-&lt;br /&gt;
|25th&lt;br /&gt;
|26th&lt;br /&gt;
|27th&lt;br /&gt;
|28th&lt;br /&gt;
|29th&lt;br /&gt;
   | Style=&amp;quot;background: grey;&amp;quot; |30th&lt;br /&gt;
|&lt;br /&gt;
|}&lt;/div&gt;</summary>
		<author><name>Np116</name></author>
	</entry>
	<entry>
		<id>https://chemwiki.ch.ic.ac.uk/index.php?title=Link&amp;diff=612429</id>
		<title>Link</title>
		<link rel="alternate" type="text/html" href="https://chemwiki.ch.ic.ac.uk/index.php?title=Link&amp;diff=612429"/>
		<updated>2017-04-06T12:50:39Z</updated>

		<summary type="html">&lt;p&gt;Np116: Created page with &amp;quot;&amp;#039;&amp;#039;&amp;#039;General procedure for locating transition state structure.&amp;#039;&amp;#039;&amp;#039;  1.	Choose the starting structure (guest structure): The guest structure can be obtained from several ways. On...&amp;quot;&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&#039;&#039;&#039;General procedure for locating transition state structure.&#039;&#039;&#039;&lt;br /&gt;
&lt;br /&gt;
1.	Choose the starting structure (guest structure): The guest structure can be obtained from several ways. One way to this is to perform relaxed PES scan. It normally helps to understand the PES of the reaction pathway and can give a good starting structure for TS searching. &lt;br /&gt;
&lt;br /&gt;
2.	Run frequncy analysis: Frequency analysis should be performed on every guest structure. Most of the time, many negative frequencies will be observed at this stage but in some cases this could revealved that the guest structure is ,in fact,  the TS structure (having 1 negative structure) !! Additionally, the calculated force constant from this frequency analysis can be further used in the optimisation of the TS. &lt;br /&gt;
&lt;br /&gt;
3.	Optimisation for transition state: If the frequency analysis revealed more than 1 negative freuqncies, Gaussian has a command designed for locating the transition state. This can be requested by using command opt=TS. Locating TS can be difficult, additional commands “calcfc” and “noeigentest” are normally used in TS locating jobs. &lt;br /&gt;
opt=(calcfc,ts,noeigentest)&lt;br /&gt;
	&lt;br /&gt;
4. Test the genueinity of the TS: TS structure is confirmed by frequency analysis. The genueine TS must have only 1 imaginary (negative) frequnecy. &lt;br /&gt;
	&lt;br /&gt;
5. IRC calculation: IRC calculation is mormally performed to confirmed if the obtained TS connects the reactant and the product of interested. &lt;br /&gt;
&lt;br /&gt;
&#039;&#039;&#039;How to fix when IRC path tend to goes the same direction irrespective of forward or reverse command&#039;&#039;&#039;&lt;br /&gt;
&lt;br /&gt;
	1. increase the stepsize slightly (default is 10) so try 15&lt;br /&gt;
&lt;br /&gt;
2. use the local quadratic approximation algorithm (lqa)&lt;br /&gt;
&lt;br /&gt;
3. still a problem use calcall, this is expensive it requires a frequency calculation at EVERY point&lt;br /&gt;
&lt;br /&gt;
4. proton transfer, using cartesian coordinates helps&lt;br /&gt;
&lt;br /&gt;
5. nudge the IRC by manually modifying the TS structure very slightly along the reaction vector in the desired direction (use minimally!!)&lt;br /&gt;
&lt;br /&gt;
opt=(calcfc,ts,noeigentest)&lt;br /&gt;
irc=(rcfc,stepsize=5,lqa,maxpoints=100,maxcyc=40,forward)&lt;/div&gt;</summary>
		<author><name>Np116</name></author>
	</entry>
	<entry>
		<id>https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group&amp;diff=612428</id>
		<title>Mod:Hunt Research Group</title>
		<link rel="alternate" type="text/html" href="https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group&amp;diff=612428"/>
		<updated>2017-04-06T12:41:49Z</updated>

		<summary type="html">&lt;p&gt;Np116: /* Gaussian General */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;==Hunt Group Wiki==&lt;br /&gt;
&lt;br /&gt;
Back to the main [http://www.ch.ic.ac.uk/hunt web-page]&lt;br /&gt;
===HPC Resources===&lt;br /&gt;
#Computing resources available in the chemistry department [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/computing_resources link]&lt;br /&gt;
#HPC servers and run scripts [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/hpc link]&lt;br /&gt;
#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] &lt;br /&gt;
#How to fix Windows files under UNIX [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/Windowsfiles link] &lt;br /&gt;
#How to make ssh more comfortable [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/pimpSSH link] &lt;br /&gt;
#How to make qsub more comfortable (gfunc) [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/pimpQSUB link] &lt;br /&gt;
#How to set up a SSH keypair [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/SSHkeyfile link] &lt;br /&gt;
#How to use gaussview directly on the HPC [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/gview link] &lt;br /&gt;
#How to comfortably search through old BASH commands [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/searchbash link]&lt;br /&gt;
#How to connect to HPC directory on desktop for file transfers - MacFusion [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/hpc_Directory_on_desktop link]&lt;br /&gt;
#How to set up cx2 [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/cx2 link]&lt;br /&gt;
&lt;br /&gt;
===Visualisation===&lt;br /&gt;
*&#039;&#039;&#039;density based visualisation&#039;&#039;&#039;&lt;br /&gt;
#download [http://aim.tkgristmill.com AIMALL]&lt;br /&gt;
&lt;br /&gt;
*&#039;&#039;&#039;ESPs&#039;&#039;&#039;&lt;br /&gt;
#Instructions for visualizing electrostatic potentials (Gaussview)[https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/electrostatic_potentials link]&lt;br /&gt;
#Electrostatic Potentials II (Molden) [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/electrostatic_potentials_2 link] &lt;br /&gt;
*&#039;&#039;&#039;VMD: a molecular dynamics visualisation package&#039;&#039;&#039;&lt;br /&gt;
#Download VMD [//wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/download_vmd link]&lt;br /&gt;
#Quick reminder [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/VMDReminder link]&lt;br /&gt;
#Tricks and tips [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/VMDTips link]&lt;br /&gt;
#Changing the graphical representation of your structures [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/vmd link]&lt;br /&gt;
#Basic visualisation of a trajectory [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/VisualisingyourSimulation link] &lt;br /&gt;
#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] &lt;br /&gt;
#Using scripts in VMD [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/VmdScripts link]&lt;br /&gt;
#Dealing with periodic boundaries and bonding (under construction) [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/VmdScriptsPeriodic link]&lt;br /&gt;
#Dealing with bonding (under construction) [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/VmdBonding link]&lt;br /&gt;
#Overlapping two structures [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/VmdVisual link]&lt;br /&gt;
*&#039;&#039;&#039;JMol&#039;&#039;&#039;&lt;br /&gt;
#Visualising MOs using Jmol [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Mod:basic_jmol_instructions link]&lt;br /&gt;
#Surfaces (Solvent-Accessible and Connolly) in Jmol [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/jmolsurfaces link]&lt;br /&gt;
*&#039;&#039;&#039;EMO Code&#039;&#039;&#039;&lt;br /&gt;
#How to use Ling&#039;s emo plot code[https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/emoplot link] &lt;br /&gt;
#How to plot EMOs [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/emo link]&lt;br /&gt;
*&#039;&#039;&#039;PyGauss&#039;&#039;&#039;&lt;br /&gt;
#Python API for analysis of Gaussian compuations [https://pygauss.readthedocs.org - Documentation]&lt;br /&gt;
*&#039;&#039;&#039;MD Post processing&#039;&#039;&#039;&lt;br /&gt;
#Code to Recentre DL_PLOY HISTORY file [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/recentre_xyz.py link]&lt;br /&gt;
#Link to the code to convert the DL_POLY HISTORY file to the multi-frame XYZ file[https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/his2xyz.py link]&lt;br /&gt;
&lt;br /&gt;
*&#039;&#039;&#039;SDFs&#039;&#039;&#039;&lt;br /&gt;
#How to generate SDFs [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/sdfs_generate link]&lt;br /&gt;
&lt;br /&gt;
===Gaussian General===&lt;br /&gt;
#We are starting 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]&lt;br /&gt;
# Here is an already existing database of common errors [https://www.ace-net.ca/wiki/Gaussian_Error_Messages link]&lt;br /&gt;
# [http://www.ch.ic.ac.uk/hunt/g03_man/index.htm G03 Manual]&lt;br /&gt;
#How to run NBO5.9 on the HPC [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/NBO5.9 link] &lt;br /&gt;
#How to include dispersion [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/dispersion link] &lt;br /&gt;
#Basic ONIOM (Mechanical Embedding) [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/basiconiom link]&lt;br /&gt;
#M0n and DFT-D [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/DFTD link]&lt;br /&gt;
#IL ONIOM clusters [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/oniomclusers link]&lt;br /&gt;
#Molecular volume calculations [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Mod:Hunt_Research_Group/molecular_volume link]&lt;br /&gt;
#problems with scf convergence [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/scf_convergence link]&lt;br /&gt;
#Using a z-matrix [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/z-matrix link]&lt;br /&gt;
#Using solvent models [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/solvent link]&lt;br /&gt;
#Using SMD on ILs [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Mod:Hunt_Research_Group:_Using_SMD_on_ILs link]&lt;br /&gt;
#computing excited state polarisabilities [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Mod:Hunt_Research_Group:_ES_alpha link]&lt;br /&gt;
#computing deuterated and/or anharmonic spectra [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Mod:Hunt_Research_Group:_Danharm link]&lt;br /&gt;
#manipulating checkpoint files [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Mod:Hunt_Research_Group:usingchkfiles link]&lt;br /&gt;
#Script to pull thermodynamic data and low frequencies from log files [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Mod:Hunt_Research_Group:freq_script link]&lt;br /&gt;
#General procedure for locating transition state structures [[link]]&lt;br /&gt;
&lt;br /&gt;
===ADF General===&lt;br /&gt;
#Submission script [http://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/ADF_sricpt link]&lt;br /&gt;
&lt;br /&gt;
===Codes to Help Analysis===&lt;br /&gt;
# Extract E2 Values (From NBO Calculations) [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/NBO_Matlab_Code link]&lt;br /&gt;
# Calculate pDoS/XP spectra code (under construction) [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/Calc_XPS_Code link]&lt;br /&gt;
# Codes to extract frequency data from gaussian .log files and generate vibrational spectra [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Mod:Hunt_Research_Group:frequency_spectrum_script link]&lt;br /&gt;
&lt;br /&gt;
===Setup and Running Ab-Initio MD Simulations===&lt;br /&gt;
#CPMD: Car-Parrinello Molecular Dynamics [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/cpmd link]&lt;br /&gt;
#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]&lt;br /&gt;
#How to run CP2K [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/cp2k_how link] &lt;br /&gt;
#[bmim]Cl using CPMD [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/bmimCl_cpmd  link] &lt;br /&gt;
#[bmim]Cl using CP2K [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/bmimCl_cp2k  link] &lt;br /&gt;
#mman using CPMD and Gaussian [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/mman link] &lt;br /&gt;
#[emim]SCN using CP2K[https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/emimscn link] &lt;br /&gt;
#CP2K Donts [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/cp2k link] &lt;br /&gt;
&lt;br /&gt;
===Setup and Running Classical MD Simulations===&lt;br /&gt;
#DLPOLY a MD simulation package, Installation on an IMac (old needs to be updated) [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/dlpoly_install  link]&lt;br /&gt;
#DL_POLY FAQs [http://www.stfc.ac.uk/cse/DL_POLY/ccp1gui/38621.aspx] from DL_POLY webpage.&lt;br /&gt;
#Installing Packmol&lt;br /&gt;
#Getting started: generating a solvated structure and &amp;quot;relaxing&amp;quot; it [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/Starting_MD link] &lt;br /&gt;
#Equilibration and production simulations [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/EquilibrationandProduction link] &lt;br /&gt;
#How to equilibrate an MD run[https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/equilibration link] &lt;br /&gt;
#Getting the Force Field [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/Wheretostart link] &lt;br /&gt;
#Choosing an Ensemble [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/Ensembles link] &lt;br /&gt;
#Molten Salt Simulations [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Mod:Hunt_Research_Group/MoltenSaltSimulation link]&lt;br /&gt;
#Common Errors [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Mod:Hunt_Research_Group/CommonErrors link]&lt;br /&gt;
#Voids in ILs[https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/voids link] &lt;br /&gt;
#Equilibration of [bmim][BF4] and [bmim][NO3][https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/BmimBF4_equilibration link] &lt;br /&gt;
#Summary of discussions with Ruth[https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/Aug09QtoRuth link]&lt;br /&gt;
&lt;br /&gt;
===Running QM/MM Simulations in ChemShell===&lt;br /&gt;
#ChemShell official website which contains the manual and a tutorial [http://www.stfc.ac.uk/CSE/randd/ccg/36254.aspx link]&lt;br /&gt;
#Introduction to ChemShell - Copper in water [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/ChemShell_Introduction link]&lt;br /&gt;
#Defining the system: Cu&amp;lt;sup&amp;gt;2+&amp;lt;/sup&amp;gt; and its first 2 solvation shells [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/ChemShell_System_Aqeuous_Cu(II) link] &lt;br /&gt;
#Defining the force field parameters [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/ChemShell_Force_Field_Parameters_Aqueous_Cu(II) link] &lt;br /&gt;
#Single point QM/MM energy calculation [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/QMMM_SP_Aqeuous_Cu(II) link] &lt;br /&gt;
#QM/MM Optimisation [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/QMMM_OPT_Aqeuous_Cu(II) link] &lt;br /&gt;
#QM/MM Molecular Dynamics [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/QMMM_MD_Aqeuous_Cu(II) link]&lt;br /&gt;
#Using MolCluster [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/MolCluster link]&lt;br /&gt;
#Running ChemShell [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/ChemShell link]&lt;br /&gt;
&lt;br /&gt;
===Research Notes===&lt;br /&gt;
#Cl- in water [https://www.ch.ic.ac.uk/wiki/index.php/Talk:Mod:Hunt_Research_Group/wannier_centre link] &lt;br /&gt;
#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] &lt;br /&gt;
#Functional for ILs using CPMD [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/IL_cpmd_functional link] &lt;br /&gt;
#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)&lt;br /&gt;
#Systematic conformational scan for ion-pair dimers [https://wiki.ch.ic.ac.uk/wiki/index.php?title=Talk:Mod:Hunt_Research_Group/ion_pair_scan link]&lt;br /&gt;
&lt;br /&gt;
===Installing and using other packages===&lt;br /&gt;
#How to install POLYRATE [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/polyrate link] &lt;br /&gt;
#How to install Geomview [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/geomview link] &lt;br /&gt;
#XMGRACE, gfortran, c compilers for Lion [http://hpc.sourceforge.net/]&lt;br /&gt;
&lt;br /&gt;
===Admin Stuff===&lt;br /&gt;
#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]&lt;br /&gt;
#How to set-up new macs [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/mac_setup link]&lt;br /&gt;
#How to set-up remote desktop [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/mac_remote link]&lt;br /&gt;
#[https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group/calendar Calendar]&lt;br /&gt;
#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]&lt;/div&gt;</summary>
		<author><name>Np116</name></author>
	</entry>
	<entry>
		<id>https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/calendar&amp;diff=602145</id>
		<title>Mod:Hunt Research Group/calendar</title>
		<link rel="alternate" type="text/html" href="https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/calendar&amp;diff=602145"/>
		<updated>2017-03-13T16:32:29Z</updated>

		<summary type="html">&lt;p&gt;Np116: /* Calendar */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;Back to the main [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group wiki-page]&lt;br /&gt;
== Calendar ==&lt;br /&gt;
&lt;br /&gt;
{| class=&amp;quot;wikitable&amp;quot;&lt;br /&gt;
|-  &lt;br /&gt;
! 1 &lt;br /&gt;
! 2 &lt;br /&gt;
! 3 &lt;br /&gt;
|-&lt;br /&gt;
| Tricia (Not done) &lt;br /&gt;
| &lt;br /&gt;
| Becky (Not done)&lt;br /&gt;
|-  &lt;br /&gt;
| Richard (Not done)&lt;br /&gt;
| Ken (Done)&lt;br /&gt;
| Aiswarya (Done)&lt;br /&gt;
|-  &lt;br /&gt;
|&lt;br /&gt;
| Lennart Frankemoelle (not done)&lt;br /&gt;
|Nukorn  (Done)&lt;br /&gt;
|-&lt;br /&gt;
|Mikkaila (Not done)&lt;br /&gt;
|Jin (Not done)&lt;br /&gt;
|&lt;br /&gt;
|-&lt;br /&gt;
|-)&lt;br /&gt;
|}&lt;br /&gt;
Everyone should be away during the college closure dates, so you don&#039;t need to add your name on those days&lt;br /&gt;
&lt;br /&gt;
Tricia maybe: Tricia may or may-not be in college i.e. working from home&lt;br /&gt;
{| class=&amp;quot;wikitable&amp;quot; style=&amp;quot;width: 100%&amp;quot;  &lt;br /&gt;
  !Mon&lt;br /&gt;
  !Tue&lt;br /&gt;
  !Wed&lt;br /&gt;
  !Thur&lt;br /&gt;
  !Fri&lt;br /&gt;
  !Sat&lt;br /&gt;
  !Sun&lt;br /&gt;
|-&lt;br /&gt;
 |13th&lt;br /&gt;
Aiswarya away&lt;br /&gt;
 |14th&lt;br /&gt;
 |15th&lt;br /&gt;
 |16th&lt;br /&gt;
 |17th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |18th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot;  |19th&lt;br /&gt;
|-&lt;br /&gt;
|20th&lt;br /&gt;
|21st&lt;br /&gt;
|22nd&lt;br /&gt;
|23rd&lt;br /&gt;
|24th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |25th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |26th&lt;br /&gt;
|-&lt;br /&gt;
|27th&lt;br /&gt;
Ken Away&lt;br /&gt;
|28th&lt;br /&gt;
|&lt;br /&gt;
|&lt;br /&gt;
|&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |&lt;br /&gt;
|-&lt;br /&gt;
|&lt;br /&gt;
|&lt;br /&gt;
   | style=&amp;quot;background: yellow;&amp;quot; |1st March&lt;br /&gt;
|2nd&lt;br /&gt;
|3rd&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |4th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |5th&lt;br /&gt;
|-&lt;br /&gt;
|6th Mikkaila Away&lt;br /&gt;
|7th Mikkaila Away&lt;br /&gt;
|8th Mikkaila Away &lt;br /&gt;
|9th Mikkaila Away&lt;br /&gt;
|10th Mikkaila Away&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |11th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |12th&lt;br /&gt;
|-&lt;br /&gt;
|13th&lt;br /&gt;
|14th&lt;br /&gt;
|15th&lt;br /&gt;
|16th&lt;br /&gt;
|17th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |18th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |19th&lt;br /&gt;
|-&lt;br /&gt;
|20th&lt;br /&gt;
|21st&lt;br /&gt;
|22nd&lt;br /&gt;
|23rd&lt;br /&gt;
|24th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |25th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |26th&lt;br /&gt;
|-&lt;br /&gt;
|27th&lt;br /&gt;
|28th&lt;br /&gt;
|29th&lt;br /&gt;
|30th&lt;br /&gt;
|31st&lt;br /&gt;
Ken Away&lt;br /&gt;
&lt;br /&gt;
Nukorn Away&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |&lt;br /&gt;
|-&lt;br /&gt;
|&lt;br /&gt;
|&lt;br /&gt;
|&lt;br /&gt;
|&lt;br /&gt;
 |&lt;br /&gt;
   | style=&amp;quot;background: yellow;&amp;quot; |1st April&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |2nd&lt;br /&gt;
|-&lt;br /&gt;
|3rd&lt;br /&gt;
|4th&lt;br /&gt;
|5th&lt;br /&gt;
|6th&lt;br /&gt;
|7th&lt;br /&gt;
Ken Away&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |8th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |9th&lt;br /&gt;
|-&lt;br /&gt;
|10th&lt;br /&gt;
Nukorn Away&lt;br /&gt;
|11th&lt;br /&gt;
Nukorn Away&lt;br /&gt;
|12th&lt;br /&gt;
COLLEGE CLOSURE START&lt;br /&gt;
|13th&lt;br /&gt;
|14th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |15th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |16th&lt;br /&gt;
|-&lt;br /&gt;
|17th&lt;br /&gt;
&lt;br /&gt;
Becky away&lt;br /&gt;
|18th&lt;br /&gt;
COLLEGE CLOSURE END&lt;br /&gt;
&lt;br /&gt;
Becky away&lt;br /&gt;
|19th&lt;br /&gt;
&lt;br /&gt;
Becky away&lt;br /&gt;
|20th&lt;br /&gt;
&lt;br /&gt;
Becky away&lt;br /&gt;
|21st&lt;br /&gt;
&lt;br /&gt;
Becky away&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |22nd&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |23rd&lt;br /&gt;
|-&lt;br /&gt;
|24th&lt;br /&gt;
Becky away&lt;br /&gt;
|25th&lt;br /&gt;
Becky away&lt;br /&gt;
|26th&lt;br /&gt;
Becky away&lt;br /&gt;
|27th&lt;br /&gt;
Becky away&lt;br /&gt;
|28th&lt;br /&gt;
Becky away&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |29th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |30th&lt;br /&gt;
|-&lt;br /&gt;
|&lt;br /&gt;
|&lt;br /&gt;
|&lt;br /&gt;
|&lt;br /&gt;
|&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |&lt;br /&gt;
|-&lt;br /&gt;
  | style=&amp;quot;background: yellow;&amp;quot;|1st May&lt;br /&gt;
BANK HOLIDAY&lt;br /&gt;
|2nd&lt;br /&gt;
|3rd&lt;br /&gt;
|4th&lt;br /&gt;
|5th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |6th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |7th&lt;br /&gt;
|-&lt;br /&gt;
|8th&lt;br /&gt;
|9th&lt;br /&gt;
|10th&lt;br /&gt;
|11th&lt;br /&gt;
|12th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |13th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |14th&lt;br /&gt;
|-&lt;br /&gt;
|15th&lt;br /&gt;
|16th&lt;br /&gt;
|17th&lt;br /&gt;
|18th&lt;br /&gt;
|19th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |20th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |21st&lt;br /&gt;
|-&lt;br /&gt;
|22nd&lt;br /&gt;
|23rd&lt;br /&gt;
|24th&lt;br /&gt;
|25th&lt;br /&gt;
|26th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |27th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |28th&lt;br /&gt;
|-&lt;br /&gt;
|29th&lt;br /&gt;
BANK HOLIDAY&lt;br /&gt;
|30th&lt;br /&gt;
|31st&lt;br /&gt;
|&lt;br /&gt;
|&lt;br /&gt;
|&lt;br /&gt;
|&lt;br /&gt;
|}&lt;/div&gt;</summary>
		<author><name>Np116</name></author>
	</entry>
	<entry>
		<id>https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/calendar&amp;diff=572466</id>
		<title>Mod:Hunt Research Group/calendar</title>
		<link rel="alternate" type="text/html" href="https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/calendar&amp;diff=572466"/>
		<updated>2016-12-08T11:29:26Z</updated>

		<summary type="html">&lt;p&gt;Np116: /* Calendar */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;Back to the main [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group wiki-page]&lt;br /&gt;
== Calendar ==&lt;br /&gt;
&lt;br /&gt;
{| class=&amp;quot;wikitable&amp;quot;&lt;br /&gt;
|-  &lt;br /&gt;
! 1 &lt;br /&gt;
! 2 &lt;br /&gt;
! 3 &lt;br /&gt;
|-&lt;br /&gt;
| Tricia (Not done) &lt;br /&gt;
| &lt;br /&gt;
| Becky (Done)&lt;br /&gt;
|-  &lt;br /&gt;
| Richard (Not done)&lt;br /&gt;
| Ken (Done)&lt;br /&gt;
| Aiswarya (Not Done)&lt;br /&gt;
|-  &lt;br /&gt;
|&lt;br /&gt;
| Lennart Frankemoelle (not done)&lt;br /&gt;
|Nukorn (Done)&lt;br /&gt;
|-&lt;br /&gt;
|Mikkaila (Done)&lt;br /&gt;
|Jin (not done)&lt;br /&gt;
|Shijia (Not done)&lt;br /&gt;
|-&lt;br /&gt;
|-)&lt;br /&gt;
|}&lt;br /&gt;
Everyone should be away during the college closure dates, so you don&#039;t need to add your name on those days&lt;br /&gt;
&lt;br /&gt;
Tricia maybe: Tricia may or may-not be in college i.e. working from home&lt;br /&gt;
{| class=&amp;quot;wikitable&amp;quot; style=&amp;quot;width: 100%&amp;quot;  &lt;br /&gt;
  !Mon&lt;br /&gt;
  !Tue&lt;br /&gt;
  !Wed&lt;br /&gt;
  !Thur&lt;br /&gt;
  !Fri&lt;br /&gt;
  !Sat&lt;br /&gt;
  !Sun&lt;br /&gt;
 &lt;br /&gt;
 |-&lt;br /&gt;
  |5th&lt;br /&gt;
  |6th&lt;br /&gt;
  |7th&lt;br /&gt;
  |8th&lt;br /&gt;
  |9th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |10th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |11th&lt;br /&gt;
 &lt;br /&gt;
 |-&lt;br /&gt;
  |12th&lt;br /&gt;
  |13th&lt;br /&gt;
  |14th&lt;br /&gt;
  |15th&lt;br /&gt;
    | style=&amp;quot;background: yellow;&amp;quot; |16th End of term&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |17th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |18th&lt;br /&gt;
 &lt;br /&gt;
 |-&lt;br /&gt;
  |19th&lt;br /&gt;
Ken away&lt;br /&gt;
&lt;br /&gt;
Nukorn away&lt;br /&gt;
&lt;br /&gt;
Lennart away&lt;br /&gt;
  |20th&lt;br /&gt;
Ken away&lt;br /&gt;
&lt;br /&gt;
Nukorn away&lt;br /&gt;
&lt;br /&gt;
Lennart away&lt;br /&gt;
  |21st&lt;br /&gt;
Ken away&lt;br /&gt;
&lt;br /&gt;
Mikkaila Away&lt;br /&gt;
&lt;br /&gt;
Nukorn away&lt;br /&gt;
&lt;br /&gt;
Lennart away&lt;br /&gt;
  |22nd&lt;br /&gt;
Becky away&lt;br /&gt;
&lt;br /&gt;
Ken away&lt;br /&gt;
&lt;br /&gt;
Mikkaila Away&lt;br /&gt;
&lt;br /&gt;
Nukorn away&lt;br /&gt;
&lt;br /&gt;
Lennart away&lt;br /&gt;
  |23rd&lt;br /&gt;
Becky away&lt;br /&gt;
&lt;br /&gt;
Ken Away&lt;br /&gt;
&lt;br /&gt;
Mikkaila Away&lt;br /&gt;
&lt;br /&gt;
Nukorn away&lt;br /&gt;
&lt;br /&gt;
Lennart away&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |24th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |25th&lt;br /&gt;
&lt;br /&gt;
 |-&lt;br /&gt;
 | style=&amp;quot;background: red;&amp;quot; |26th College closure&lt;br /&gt;
 | style=&amp;quot;background: red;&amp;quot; |27th&lt;br /&gt;
 | style=&amp;quot;background: red;&amp;quot; |28th&lt;br /&gt;
 | style=&amp;quot;background: red;&amp;quot; |29th&lt;br /&gt;
 | style=&amp;quot;background: red;&amp;quot; |30th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot;|31st&lt;br /&gt;
  | style=&amp;quot;background: yellow;&amp;quot; |1st January&lt;br /&gt;
&lt;br /&gt;
|-&lt;br /&gt;
 | style=&amp;quot;background: red;&amp;quot;|2nd&lt;br /&gt;
 | style=&amp;quot;background: red;&amp;quot;|3rd&lt;br /&gt;
|4th&lt;br /&gt;
Becky away&lt;br /&gt;
&lt;br /&gt;
Ken away&lt;br /&gt;
&lt;br /&gt;
Nukorn away&lt;br /&gt;
|5th&lt;br /&gt;
Becky away&lt;br /&gt;
&lt;br /&gt;
Ken away&lt;br /&gt;
&lt;br /&gt;
Nukorn away&lt;br /&gt;
|6th&lt;br /&gt;
Becky away&lt;br /&gt;
&lt;br /&gt;
Ken away&lt;br /&gt;
&lt;br /&gt;
Nukorn away&lt;br /&gt;
| style=&amp;quot;background: grey;&amp;quot; |7th&lt;br /&gt;
| style=&amp;quot;background: grey;&amp;quot; |8th&lt;br /&gt;
&lt;br /&gt;
|-&lt;br /&gt;
  | style=&amp;quot;background: yellow;&amp;quot; |9th Term starts&lt;br /&gt;
 |10th&lt;br /&gt;
 |11th&lt;br /&gt;
 |12th&lt;br /&gt;
 |13th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |14th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |15th&lt;br /&gt;
&lt;br /&gt;
 |-&lt;br /&gt;
  |16th &lt;br /&gt;
  |17th&lt;br /&gt;
  |18th&lt;br /&gt;
  |19th&lt;br /&gt;
  |20th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |21st&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |22nd&lt;br /&gt;
 &lt;br /&gt;
 |-&lt;br /&gt;
 |23rd&lt;br /&gt;
 |24th&lt;br /&gt;
 |25th&lt;br /&gt;
 |26th&lt;br /&gt;
 |27th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |28th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |29th&lt;br /&gt;
 &lt;br /&gt;
 |-&lt;br /&gt;
  |30th&lt;br /&gt;
  |31st&lt;br /&gt;
 | style=&amp;quot;background: yellow;&amp;quot;  |1st February&lt;br /&gt;
  |2nd&lt;br /&gt;
  |3rd&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |4th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |5th&lt;br /&gt;
&lt;br /&gt;
 |-&lt;br /&gt;
 |6th&lt;br /&gt;
 |7th&lt;br /&gt;
 |8th&lt;br /&gt;
 |9th&lt;br /&gt;
 |10th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |11th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |12th&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
 |-&lt;br /&gt;
 |13th&lt;br /&gt;
 |14th&lt;br /&gt;
 |15th&lt;br /&gt;
 |16th&lt;br /&gt;
 |17th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |18th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot;  |19th&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
|}&lt;/div&gt;</summary>
		<author><name>Np116</name></author>
	</entry>
	<entry>
		<id>https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/calendar&amp;diff=572465</id>
		<title>Mod:Hunt Research Group/calendar</title>
		<link rel="alternate" type="text/html" href="https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/calendar&amp;diff=572465"/>
		<updated>2016-12-08T11:02:20Z</updated>

		<summary type="html">&lt;p&gt;Np116: /* Calendar */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;Back to the main [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group wiki-page]&lt;br /&gt;
== Calendar ==&lt;br /&gt;
&lt;br /&gt;
{| class=&amp;quot;wikitable&amp;quot;&lt;br /&gt;
|-  &lt;br /&gt;
! 1 &lt;br /&gt;
! 2 &lt;br /&gt;
! 3 &lt;br /&gt;
|-&lt;br /&gt;
| Tricia (Not done) &lt;br /&gt;
| &lt;br /&gt;
| Becky (Done)&lt;br /&gt;
|-  &lt;br /&gt;
| Richard (Not done)&lt;br /&gt;
| Ken (Done)&lt;br /&gt;
| Aiswarya (Not Done)&lt;br /&gt;
|-  &lt;br /&gt;
|&lt;br /&gt;
| Lennart Frankemoelle (not done)&lt;br /&gt;
|Nukorn (Not done)&lt;br /&gt;
|-&lt;br /&gt;
|Mikkaila (Done)&lt;br /&gt;
|Jin (not done)&lt;br /&gt;
|Shijia (Not done)&lt;br /&gt;
|-&lt;br /&gt;
|-)&lt;br /&gt;
|}&lt;br /&gt;
Everyone should be away during the college closure dates, so you don&#039;t need to add your name on those days&lt;br /&gt;
&lt;br /&gt;
Tricia maybe: Tricia may or may-not be in college i.e. working from home&lt;br /&gt;
{| class=&amp;quot;wikitable&amp;quot; style=&amp;quot;width: 100%&amp;quot;  &lt;br /&gt;
  !Mon&lt;br /&gt;
  !Tue&lt;br /&gt;
  !Wed&lt;br /&gt;
  !Thur&lt;br /&gt;
  !Fri&lt;br /&gt;
  !Sat&lt;br /&gt;
  !Sun&lt;br /&gt;
 &lt;br /&gt;
 |-&lt;br /&gt;
  |5th&lt;br /&gt;
  |6th&lt;br /&gt;
  |7th&lt;br /&gt;
  |8th&lt;br /&gt;
  |9th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |10th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |11th&lt;br /&gt;
 &lt;br /&gt;
 |-&lt;br /&gt;
  |12th&lt;br /&gt;
  |13th&lt;br /&gt;
  |14th&lt;br /&gt;
  |15th&lt;br /&gt;
    | style=&amp;quot;background: yellow;&amp;quot; |16th End of term&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |17th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |18th&lt;br /&gt;
 &lt;br /&gt;
 |-&lt;br /&gt;
  |19th&lt;br /&gt;
Ken away&lt;br /&gt;
&lt;br /&gt;
Nukorn away&lt;br /&gt;
&lt;br /&gt;
Lennart away&lt;br /&gt;
  |20th&lt;br /&gt;
Ken away&lt;br /&gt;
&lt;br /&gt;
Nukorn away&lt;br /&gt;
&lt;br /&gt;
Lennart away&lt;br /&gt;
  |21st&lt;br /&gt;
Ken away&lt;br /&gt;
&lt;br /&gt;
Mikkaila Away&lt;br /&gt;
&lt;br /&gt;
Nukorn away&lt;br /&gt;
&lt;br /&gt;
Lennart away&lt;br /&gt;
  |22nd&lt;br /&gt;
Becky away&lt;br /&gt;
&lt;br /&gt;
Ken away&lt;br /&gt;
&lt;br /&gt;
Mikkaila Away&lt;br /&gt;
&lt;br /&gt;
Nukorn away&lt;br /&gt;
&lt;br /&gt;
Lennart away&lt;br /&gt;
  |23rd&lt;br /&gt;
Becky away&lt;br /&gt;
&lt;br /&gt;
Ken Away&lt;br /&gt;
&lt;br /&gt;
Mikkaila Away&lt;br /&gt;
&lt;br /&gt;
Nukorn away&lt;br /&gt;
&lt;br /&gt;
Lennart away&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |24th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |25th&lt;br /&gt;
&lt;br /&gt;
 |-&lt;br /&gt;
 | style=&amp;quot;background: red;&amp;quot; |26th College closure&lt;br /&gt;
 | style=&amp;quot;background: red;&amp;quot; |27th&lt;br /&gt;
 | style=&amp;quot;background: red;&amp;quot; |28th&lt;br /&gt;
 | style=&amp;quot;background: red;&amp;quot; |29th&lt;br /&gt;
 | style=&amp;quot;background: red;&amp;quot; |30th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot;|31st&lt;br /&gt;
  | style=&amp;quot;background: yellow;&amp;quot; |1st January&lt;br /&gt;
&lt;br /&gt;
|-&lt;br /&gt;
 | style=&amp;quot;background: red;&amp;quot;|2nd&lt;br /&gt;
 | style=&amp;quot;background: red;&amp;quot;|3rd&lt;br /&gt;
|4th&lt;br /&gt;
Becky away&lt;br /&gt;
&lt;br /&gt;
Ken away&lt;br /&gt;
|5th&lt;br /&gt;
Becky away&lt;br /&gt;
&lt;br /&gt;
Ken away&lt;br /&gt;
|6th&lt;br /&gt;
Becky away&lt;br /&gt;
&lt;br /&gt;
Ken away&lt;br /&gt;
&lt;br /&gt;
Nukorn away&lt;br /&gt;
| style=&amp;quot;background: grey;&amp;quot; |7th&lt;br /&gt;
| style=&amp;quot;background: grey;&amp;quot; |8th&lt;br /&gt;
&lt;br /&gt;
|-&lt;br /&gt;
  | style=&amp;quot;background: yellow;&amp;quot; |9th Term starts&lt;br /&gt;
 |10th&lt;br /&gt;
 |11th&lt;br /&gt;
 |12th&lt;br /&gt;
 |13th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |14th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |15th&lt;br /&gt;
&lt;br /&gt;
 |-&lt;br /&gt;
  |16th &lt;br /&gt;
  |17th&lt;br /&gt;
  |18th&lt;br /&gt;
  |19th&lt;br /&gt;
  |20th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |21st&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |22nd&lt;br /&gt;
 &lt;br /&gt;
 |-&lt;br /&gt;
 |23rd&lt;br /&gt;
 |24th&lt;br /&gt;
 |25th&lt;br /&gt;
 |26th&lt;br /&gt;
 |27th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |28th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |29th&lt;br /&gt;
 &lt;br /&gt;
 |-&lt;br /&gt;
  |30th&lt;br /&gt;
  |31st&lt;br /&gt;
 | style=&amp;quot;background: yellow;&amp;quot;  |1st February&lt;br /&gt;
  |2nd&lt;br /&gt;
  |3rd&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |4th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |5th&lt;br /&gt;
&lt;br /&gt;
 |-&lt;br /&gt;
 |6th&lt;br /&gt;
 |7th&lt;br /&gt;
 |8th&lt;br /&gt;
 |9th&lt;br /&gt;
 |10th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |11th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |12th&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
 |-&lt;br /&gt;
 |13th&lt;br /&gt;
 |14th&lt;br /&gt;
 |15th&lt;br /&gt;
 |16th&lt;br /&gt;
 |17th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |18th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot;  |19th&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
|}&lt;/div&gt;</summary>
		<author><name>Np116</name></author>
	</entry>
	<entry>
		<id>https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/calendar&amp;diff=572463</id>
		<title>Mod:Hunt Research Group/calendar</title>
		<link rel="alternate" type="text/html" href="https://chemwiki.ch.ic.ac.uk/index.php?title=Mod:Hunt_Research_Group/calendar&amp;diff=572463"/>
		<updated>2016-12-08T11:01:04Z</updated>

		<summary type="html">&lt;p&gt;Np116: /* Calendar */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;Back to the main [https://www.ch.ic.ac.uk/wiki/index.php/Mod:Hunt_Research_Group wiki-page]&lt;br /&gt;
== Calendar ==&lt;br /&gt;
&lt;br /&gt;
{| class=&amp;quot;wikitable&amp;quot;&lt;br /&gt;
|-  &lt;br /&gt;
! 1 &lt;br /&gt;
! 2 &lt;br /&gt;
! 3 &lt;br /&gt;
|-&lt;br /&gt;
| Tricia (Not done) &lt;br /&gt;
| &lt;br /&gt;
| Becky (Done)&lt;br /&gt;
|-  &lt;br /&gt;
| Richard (Not done)&lt;br /&gt;
| Ken (Done)&lt;br /&gt;
| Aiswarya (Not Done)&lt;br /&gt;
|-  &lt;br /&gt;
|&lt;br /&gt;
| Lennart Frankemoelle (not done)&lt;br /&gt;
|Nukorn (Not done)&lt;br /&gt;
|-&lt;br /&gt;
|Mikkaila (Done)&lt;br /&gt;
|Jin (not done)&lt;br /&gt;
|Shijia (Not done)&lt;br /&gt;
|-&lt;br /&gt;
|-)&lt;br /&gt;
|}&lt;br /&gt;
Everyone should be away during the college closure dates, so you don&#039;t need to add your name on those days&lt;br /&gt;
&lt;br /&gt;
Tricia maybe: Tricia may or may-not be in college i.e. working from home&lt;br /&gt;
{| class=&amp;quot;wikitable&amp;quot; style=&amp;quot;width: 100%&amp;quot;  &lt;br /&gt;
  !Mon&lt;br /&gt;
  !Tue&lt;br /&gt;
  !Wed&lt;br /&gt;
  !Thur&lt;br /&gt;
  !Fri&lt;br /&gt;
  !Sat&lt;br /&gt;
  !Sun&lt;br /&gt;
 &lt;br /&gt;
 |-&lt;br /&gt;
  |5th&lt;br /&gt;
  |6th&lt;br /&gt;
  |7th&lt;br /&gt;
  |8th&lt;br /&gt;
  |9th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |10th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |11th&lt;br /&gt;
 &lt;br /&gt;
 |-&lt;br /&gt;
  |12th&lt;br /&gt;
  |13th&lt;br /&gt;
  |14th&lt;br /&gt;
  |15th&lt;br /&gt;
    | style=&amp;quot;background: yellow;&amp;quot; |16th End of term&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |17th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |18th&lt;br /&gt;
 &lt;br /&gt;
 |-&lt;br /&gt;
  |19th&lt;br /&gt;
Ken away&lt;br /&gt;
&lt;br /&gt;
Nukorn away&lt;br /&gt;
  |20th&lt;br /&gt;
Ken away&lt;br /&gt;
&lt;br /&gt;
Nukorn away&lt;br /&gt;
  |21st&lt;br /&gt;
Ken away&lt;br /&gt;
&lt;br /&gt;
Mikkaila Away&lt;br /&gt;
&lt;br /&gt;
Nukorn away&lt;br /&gt;
  |22nd&lt;br /&gt;
Becky away&lt;br /&gt;
&lt;br /&gt;
Ken away&lt;br /&gt;
&lt;br /&gt;
Mikkaila Away&lt;br /&gt;
&lt;br /&gt;
Nukorn away&lt;br /&gt;
  |23rd&lt;br /&gt;
Becky away&lt;br /&gt;
&lt;br /&gt;
Ken Away&lt;br /&gt;
&lt;br /&gt;
Mikkaila Away&lt;br /&gt;
&lt;br /&gt;
Nukorn away&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |24th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |25th&lt;br /&gt;
&lt;br /&gt;
 |-&lt;br /&gt;
 | style=&amp;quot;background: red;&amp;quot; |26th College closure&lt;br /&gt;
 | style=&amp;quot;background: red;&amp;quot; |27th&lt;br /&gt;
 | style=&amp;quot;background: red;&amp;quot; |28th&lt;br /&gt;
 | style=&amp;quot;background: red;&amp;quot; |29th&lt;br /&gt;
 | style=&amp;quot;background: red;&amp;quot; |30th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot;|31st&lt;br /&gt;
  | style=&amp;quot;background: yellow;&amp;quot; |1st January&lt;br /&gt;
&lt;br /&gt;
|-&lt;br /&gt;
 | style=&amp;quot;background: red;&amp;quot;|2nd&lt;br /&gt;
 | style=&amp;quot;background: red;&amp;quot;|3rd&lt;br /&gt;
|4th&lt;br /&gt;
Becky away&lt;br /&gt;
&lt;br /&gt;
Ken away&lt;br /&gt;
|5th&lt;br /&gt;
Becky away&lt;br /&gt;
&lt;br /&gt;
Ken away&lt;br /&gt;
|6th&lt;br /&gt;
Becky away&lt;br /&gt;
&lt;br /&gt;
Ken away&lt;br /&gt;
| style=&amp;quot;background: grey;&amp;quot; |7th&lt;br /&gt;
| style=&amp;quot;background: grey;&amp;quot; |8th&lt;br /&gt;
&lt;br /&gt;
|-&lt;br /&gt;
  | style=&amp;quot;background: yellow;&amp;quot; |9th Term starts&lt;br /&gt;
 |10th&lt;br /&gt;
 |11th&lt;br /&gt;
 |12th&lt;br /&gt;
 |13th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |14th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |15th&lt;br /&gt;
&lt;br /&gt;
 |-&lt;br /&gt;
  |16th &lt;br /&gt;
  |17th&lt;br /&gt;
  |18th&lt;br /&gt;
  |19th&lt;br /&gt;
  |20th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |21st&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |22nd&lt;br /&gt;
 &lt;br /&gt;
 |-&lt;br /&gt;
 |23rd&lt;br /&gt;
 |24th&lt;br /&gt;
 |25th&lt;br /&gt;
 |26th&lt;br /&gt;
 |27th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |28th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |29th&lt;br /&gt;
 &lt;br /&gt;
 |-&lt;br /&gt;
  |30th&lt;br /&gt;
  |31st&lt;br /&gt;
 | style=&amp;quot;background: yellow;&amp;quot;  |1st February&lt;br /&gt;
  |2nd&lt;br /&gt;
  |3rd&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |4th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |5th&lt;br /&gt;
&lt;br /&gt;
 |-&lt;br /&gt;
 |6th&lt;br /&gt;
 |7th&lt;br /&gt;
 |8th&lt;br /&gt;
 |9th&lt;br /&gt;
 |10th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |11th&lt;br /&gt;
  | style=&amp;quot;background: grey;&amp;quot; |12th&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
 |-&lt;br /&gt;
 |13th&lt;br /&gt;
 |14th&lt;br /&gt;
 |15th&lt;br /&gt;
 |16th&lt;br /&gt;
 |17th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot; |18th&lt;br /&gt;
   | style=&amp;quot;background: grey;&amp;quot;  |19th&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
|}&lt;/div&gt;</summary>
		<author><name>Np116</name></author>
	</entry>
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