User contributions for Fi311

3 December 2013

• 00:2100:21, 3 December 2013 diff hist 0 File:TS reoptimised B3LYP FIshan 2.gif uploaded a new version of "File:TS reoptimised B3LYP FIshan 2.gif"
• 00:1800:18, 3 December 2013 diff hist 0 File:TS reoptimised B3LYP FIshan.gif uploaded a new version of "File:TS reoptimised B3LYP FIshan.gif" current
• 00:1700:17, 3 December 2013 diff hist 0 File:TS reoptimised B3LYP FIshan.mol uploaded a new version of "File:TS reoptimised B3LYP FIshan.mol" current
• 00:1700:17, 3 December 2013 diff hist 0 File:TS reoptimised B3LYP FIshan.png uploaded a new version of "File:TS reoptimised B3LYP FIshan.png" current
• 00:1400:14, 3 December 2013 diff hist 0 File:TS AM1 lengths FIshan.png uploaded a new version of "File:TS AM1 lengths FIshan.png" current
• 00:0800:08, 3 December 2013 diff hist 0 File:TS AM1 FIshan.mol uploaded a new version of "File:TS AM1 FIshan.mol" current
• 00:0700:07, 3 December 2013 diff hist 0 File:TS AM1 FIshan.png uploaded a new version of "File:TS AM1 FIshan.png" current

2 December 2013

• 23:4523:45, 2 December 2013 diff hist +23 Rep:Mod:FITFPhy123 →Transition state
• 23:4323:43, 2 December 2013 diff hist +190 Rep:Mod:FITFPhy123 →Transition state
• 23:1323:13, 2 December 2013 diff hist −1 Rep:Mod:FITFPhy123 →Hessian method
• 23:1323:13, 2 December 2013 diff hist +34 Rep:Mod:FITFPhy123 →Hessian method
• 23:1123:11, 2 December 2013 diff hist +102 Rep:Mod:FITFPhy123 →Hessian method
• 23:0223:02, 2 December 2013 diff hist −9 Rep:Mod:FITFPhy123 →Hessian method
• 22:5222:52, 2 December 2013 diff hist +2 Rep:Mod:FITFPhy123 →Transition state
• 22:5122:51, 2 December 2013 diff hist +398 Rep:Mod:FITFPhy123 →Transition state
• 22:2922:29, 2 December 2013 diff hist −2 Rep:Mod:FITFPhy123 →References
• 22:2822:28, 2 December 2013 diff hist +54 Rep:Mod:FITFPhy123 →Transition state
• 22:2722:27, 2 December 2013 diff hist +154 Rep:Mod:FITFPhy123 →Transition state
• 22:2622:26, 2 December 2013 diff hist +238 Rep:Mod:FITFPhy123 →References
• 22:0022:00, 2 December 2013 diff hist +139 Rep:Mod:FITFPhy123 →Transition state
• 21:5621:56, 2 December 2013 diff hist +41 Rep:Mod:FITFPhy123 →Transition state
• 21:5021:50, 2 December 2013 diff hist +12 Rep:Mod:FITFPhy123 →Transition state
• 21:4921:49, 2 December 2013 diff hist +1 Rep:Mod:FITFPhy123 →Transition state
• 17:1417:14, 2 December 2013 diff hist −2 Rep:Mod:FITFPhy123 →Transition state
• 17:1317:13, 2 December 2013 diff hist +93 Rep:Mod:FITFPhy123 →Transition state
• 17:1217:12, 2 December 2013 diff hist +171 Rep:Mod:FITFPhy123 →Transition state
• 17:1117:11, 2 December 2013 diff hist 0 N File:Butadiene reoptimised B3LYP lengths FIshan.png No edit summary current
• 17:1117:11, 2 December 2013 diff hist 0 N File:Ethene optimised lengths FIshan.png No edit summary current
• 17:1117:11, 2 December 2013 diff hist +98 Rep:Mod:FITFPhy123 →Transition state
• 17:0917:09, 2 December 2013 diff hist +1,303 Rep:Mod:FITFPhy123 →Transition state
• 16:4916:49, 2 December 2013 diff hist 0 File:TS reoptimised B3LYP lengths FIshan.png uploaded a new version of "File:TS reoptimised B3LYP lengths FIshan.png"
• 16:1516:15, 2 December 2013 diff hist −14 Rep:Mod:FITFPhy123 →Transition state
• 16:0916:09, 2 December 2013 diff hist +16 Rep:Mod:FITFPhy123 →Optimising Reactants
• 16:0816:08, 2 December 2013 diff hist +71 Rep:Mod:FITFPhy123 →Optimising Reactants
• 16:0816:08, 2 December 2013 diff hist 0 N File:FI ethene LUMO3 node.png No edit summary current
• 15:5715:57, 2 December 2013 diff hist 0 Rep:Mod:FITFPhy123 →Optimising Reactants
• 15:5615:56, 2 December 2013 diff hist +3 Rep:Mod:FITFPhy123 →Optimising Reactants
• 15:5515:55, 2 December 2013 diff hist +98 Rep:Mod:FITFPhy123 →Optimising Reactants
• 15:5215:52, 2 December 2013 diff hist +2 Rep:Mod:FITFPhy123 →Optimising Reactants
• 15:5215:52, 2 December 2013 diff hist +2 Rep:Mod:FITFPhy123 →Optimising Reactants
• 15:5115:51, 2 December 2013 diff hist −1 Rep:Mod:FITFPhy123 →Optimising Reactants
• 15:5115:51, 2 December 2013 diff hist +272 Rep:Mod:FITFPhy123 →Optimising Reactants

1 December 2013

• 16:3516:35, 1 December 2013 diff hist +307 Rep:Mod:FITFPhy123 →cis-Butadiene
• 16:0516:05, 1 December 2013 diff hist +14 Rep:Mod:FITFPhy123 →cis-Butadiene
• 16:0316:03, 1 December 2013 diff hist −12 Rep:Mod:FITFPhy123 →cis-Butadiene
• 16:0216:02, 1 December 2013 diff hist +21 Rep:Mod:FITFPhy123 →cis-Butadiene
• 16:0016:00, 1 December 2013 diff hist +218 Rep:Mod:FITFPhy123 →cis-Butadiene
• 15:5915:59, 1 December 2013 diff hist 0 N File:FIshan ethene AM1.mol No edit summary current
• 15:5815:58, 1 December 2013 diff hist 0 N File:FI ethene LUMO 2.png No edit summary current
• 15:5815:58, 1 December 2013 diff hist 0 N File:FI ethene HOMO 2.png No edit summary