User contributions for Wh1413

29 January 2016

• 15:0315:03, 29 January 2016 diff hist +70 Rep:Extended Systems →Cycloaddtion of quinodimethane to (5,5)-SWCNT
• 02:1102:11, 29 January 2016 diff hist +98 Rep:Extended Systems →Cycloaddtion of quinodimethane to (5,5)-SWCNT
• 02:0302:03, 29 January 2016 diff hist 0 N File:SWCNT1.png No edit summary current
• 01:4301:43, 29 January 2016 diff hist 0 N File:SWCNT1.tif No edit summary current
• 01:3801:38, 29 January 2016 diff hist −27 Rep:Extended Systems →UNIX
• 01:3601:36, 29 January 2016 diff hist +2 Rep:Extended Systems →Cycloaddtion of quinodimethane to (5,5)-SWCNT
• 01:2301:23, 29 January 2016 diff hist −1,503 Rep:Extended Systems →Cycloaddtion of quinodimethane to (5,5)-SWCNT
• 01:1001:10, 29 January 2016 diff hist 0 N File:CNT quino ONIOM b3lyp631gd am1 opt.mol No edit summary current
• 00:5700:57, 29 January 2016 diff hist +2,288 Rep:Extended Systems No edit summary

22 January 2016

• 00:2200:22, 22 January 2016 diff hist +27 Rep:Extended Systems →UNIX
• 00:1600:16, 22 January 2016 diff hist 0 N File:Cx1.login.app.zip No edit summary current
• 00:1500:15, 22 January 2016 diff hist +57 Rep:Extended Systems →UNIX
• 00:0800:08, 22 January 2016 diff hist −1 Rep:Extended Systems →Pre-Project=
• 00:0800:08, 22 January 2016 diff hist +31 Rep:Extended Systems No edit summary
• 00:0600:06, 22 January 2016 diff hist +190 N Rep:Extended Systems Created page with "=UNIX= Learning the basics of the UNIX shell language using Terminal on Mac OSX following the tutorials given here: <br> http://students.open.ac.uk/omresources/periodictable/..."

6 December 2015

• 01:0101:01, 6 December 2015 diff hist +1 Rep:Mod:14willh →Comparing Exo and Endo: The Orbital Picture
• 00:5800:58, 6 December 2015 diff hist +1 Rep:Mod:14willh →Comparing Exo and Endo: The Orbital Picture

4 December 2015

• 23:0923:09, 4 December 2015 diff hist +16 Rep:Mod:14willh →IRC: Compute the Force Constant at Every n=1 Steps
• 23:0023:00, 4 December 2015 diff hist +69 Rep:Mod:14willh →Analysis of TS Geometry
• 22:5922:59, 4 December 2015 diff hist +57 Rep:Mod:14willh →Analysis of TS Geometry
• 22:5722:57, 4 December 2015 diff hist −82 Rep:Mod:14willh →Optimisation: QST2 Method
• 22:5622:56, 4 December 2015 diff hist +53 Rep:Mod:14willh →Zero-Point Energy Correction
• 22:5522:55, 4 December 2015 diff hist −38 Rep:Mod:14willh →Introduction
• 22:5322:53, 4 December 2015 diff hist +4 Rep:Mod:14willh →Introduction
• 22:5322:53, 4 December 2015 diff hist +54 Rep:Mod:14willh →Introduction
• 22:5122:51, 4 December 2015 diff hist +45 Rep:Mod:14willh →Introduction
• 22:4822:48, 4 December 2015 diff hist +12 Rep:Mod:14willh →Hartree-Fock Method
• 22:4722:47, 4 December 2015 diff hist +117 Rep:Mod:14willh →Introduction
• 22:4422:44, 4 December 2015 diff hist +29 Rep:Mod:14willh →Hartree-Fock Method
• 22:4322:43, 4 December 2015 diff hist +127 Rep:Mod:14willh →Hartree-Fock Method
• 22:3422:34, 4 December 2015 diff hist −179 Rep:Mod:14willh →Zero-Point Energy Correction
• 22:1022:10, 4 December 2015 diff hist +29 Rep:Mod:14willh →Analysis of TS Geometry
• 22:0722:07, 4 December 2015 diff hist −5 Rep:Mod:14willh →IRC: Compute the Force Constant at Every n=1 Steps
• 22:0522:05, 4 December 2015 diff hist −4 Rep:Mod:14willh →IRC: Compute the Force Constant at Every n=1 Steps
• 22:0522:05, 4 December 2015 diff hist 0 N File:WhApproach3.gif No edit summary current
• 21:3421:34, 4 December 2015 diff hist +151 Rep:Mod:14willh →Optimisation: QST2 Method
• 21:2921:29, 4 December 2015 diff hist +235 Rep:Mod:14willh →Zero-Point Energy Correction
• 21:2621:26, 4 December 2015 diff hist −83 Rep:Mod:14willh →Optimising the Reactants and Products
• 21:2221:22, 4 December 2015 diff hist +104 Rep:Mod:14willh →Activation Energy
• 21:1721:17, 4 December 2015 diff hist 0 Rep:Mod:14willh →Activation Energy
• 21:1621:16, 4 December 2015 diff hist +123 Rep:Mod:14willh →Activation Energy
• 21:1321:13, 4 December 2015 diff hist +50 Rep:Mod:14willh →Activation Energy
• 21:0721:07, 4 December 2015 diff hist +15 Rep:Mod:14willh →Comparing Exo and Endo: The Orbital Picture
• 21:0421:04, 4 December 2015 diff hist +50 Rep:Mod:14willh →Endo Transition State
• 21:0021:00, 4 December 2015 diff hist +80 Rep:Mod:14willh →Exo Transition Structure
• 21:0021:00, 4 December 2015 diff hist 0 N File:WhEXOTS OPTFREQ AM1.zip No edit summary current
• 20:5620:56, 4 December 2015 diff hist +49 Rep:Mod:14willh →Optimisation of 1,3-Cyclohexadiene and Maleic Anhydride
• 20:5620:56, 4 December 2015 diff hist +49 Rep:Mod:14willh →Optimisation of 1,3-Cyclohexadiene and Maleic Anhydride
• 20:5320:53, 4 December 2015 diff hist +82 Rep:Mod:14willh →s-trans and s-cis Butadiene
• 20:5220:52, 4 December 2015 diff hist 0 N File:WhButadiene-interconversion optfreq AM1 TS optfreq.log No edit summary current