User contributions for Jg2011
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11 February 2014
- 17:1317:13, 11 February 2014 diff hist +532 Rep:Mod:KA629943 →Energy of the Reaction
- 17:1217:12, 11 February 2014 diff hist 0 File:JG HF 631Gd Transitionstate.log uploaded a new version of "File:JG HF 631Gd Transitionstate.log" current
- 17:1217:12, 11 February 2014 diff hist 0 File:JG TS DIELSALDER.LOG uploaded a new version of "File:JG TS DIELSALDER.LOG" current
- 17:1217:12, 11 February 2014 diff hist 0 N File:JG DielsAlder TS DFT.log No edit summary
- 17:0617:06, 11 February 2014 diff hist 0 Rep:Mod:KA629943 →Energy of the Reaction
- 17:0617:06, 11 February 2014 diff hist +324 Rep:Mod:KA629943 →Energy of the Reaction
- 16:4216:42, 11 February 2014 diff hist +261 Rep:Mod:KA629943 →Calculation of the Transition State
- 16:3816:38, 11 February 2014 diff hist +333 Rep:Mod:KA629943 →The Molecular Orbitals
- 16:3316:33, 11 February 2014 diff hist −6 Rep:Mod:KA629943 →The Molecular Orbitals
- 16:3216:32, 11 February 2014 diff hist +603 Rep:Mod:KA629943 →The Molecular Orbitals
- 16:3116:31, 11 February 2014 diff hist 0 N File:JG Extremecase Nosub.png No edit summary current
- 15:4815:48, 11 February 2014 diff hist +627 Rep:Mod:KA629943 →Optimization of the Transition State
- 15:3915:39, 11 February 2014 diff hist 0 N File:JG HF firstrealVib.gif No edit summary current
- 15:3015:30, 11 February 2014 diff hist +469 Rep:Mod:KA629943 →Discussion on Selectivity
- 15:0815:08, 11 February 2014 diff hist 0 N File:JG Secondary overlap.PNG No edit summary current
- 14:3814:38, 11 February 2014 diff hist +916 Rep:Mod:KA629943 →Energy of the Reaction
- 13:5813:58, 11 February 2014 diff hist +473 Rep:Mod:KA629943 →Optimization of the Transition State
- 13:5813:58, 11 February 2014 diff hist 0 N File:JG TS SEMI EMPI pic.PNG No edit summary current
- 13:5613:56, 11 February 2014 diff hist 0 N File:JG TS DIELSALDER.LOG No edit summary
- 13:5213:52, 11 February 2014 diff hist +361 Rep:Mod:KA629943 →Calculation of the Transition State
- 13:4213:42, 11 February 2014 diff hist 0 N File:JG IRC GRAPH Endo RMS.PNG No edit summary current
- 13:4213:42, 11 February 2014 diff hist 0 N File:JG IRC GRAPH Endo Energy.PNG No edit summary current
- 13:4213:42, 11 February 2014 diff hist 0 N File:JG IRC GRAPH EXO RMS.PNG No edit summary current
- 13:4213:42, 11 February 2014 diff hist 0 N File:JG IRC GRAPH EXO Energy.PNG No edit summary current
- 13:3513:35, 11 February 2014 diff hist +1,777 Rep:Mod:KA629943 →Maleic Anhydride and Cyclohexadiene Optimizations HF/6-31G(d)
- 13:3013:30, 11 February 2014 diff hist −1,704 Rep:Mod:KA629943 →Calculation of the Transition State
- 13:2313:23, 11 February 2014 diff hist +146 Rep:Mod:KA629943 →Calculation of the Transition State
- 13:2113:21, 11 February 2014 diff hist 0 N File:JG EndoTS DFT pic.PNG No edit summary current
- 13:2113:21, 11 February 2014 diff hist 0 N File:JG ExoTS DFT pic.PNG No edit summary current
- 13:0413:04, 11 February 2014 diff hist 0 N File:JG EndoTS DFT IRC Vid.gif No edit summary current
- 13:0413:04, 11 February 2014 diff hist 0 N File:JG ExoTS DFT IRC Vid.gif No edit summary current
- 12:4812:48, 11 February 2014 diff hist +1,335 Rep:Mod:KA629943 →Energy of the Reaction
- 12:3212:32, 11 February 2014 diff hist +159 Rep:Mod:KA629943 →Calculation of Reaction Energies
- 11:5011:50, 11 February 2014 diff hist −30 Rep:Mod:KA629943 →Optimization of the Reactants and Products
- 11:5011:50, 11 February 2014 diff hist +411 Rep:Mod:KA629943 →Optimization of the Reactants and Products
- 11:4911:49, 11 February 2014 diff hist 0 N File:JG Endo DFT FREQ.log No edit summary current
- 11:4811:48, 11 February 2014 diff hist 0 N File:JG ExoProd DFT FREQ.log No edit summary current
10 February 2014
- 23:0923:09, 10 February 2014 diff hist +6 Rep:Mod:KA629943 →Energy of the Reaction
- 23:0823:08, 10 February 2014 diff hist +362 Rep:Mod:KA629943 →Energy of the Reaction
- 22:5222:52, 10 February 2014 diff hist +421 Rep:Mod:KA629943 →Calculation of the Transition State
- 22:4422:44, 10 February 2014 diff hist 0 N File:JG MaleicCyclo Endo Vib.gif No edit summary current
- 22:4422:44, 10 February 2014 diff hist 0 N File:JG MaleicCyclo Exo Vib.gif No edit summary current
- 22:3822:38, 10 February 2014 diff hist +12 Rep:Mod:KA629943 →Optimization of the Chair Transition State
- 22:3622:36, 10 February 2014 diff hist −10 Rep:Mod:KA629943 →Optimization of the Chair Transition State
- 22:3522:35, 10 February 2014 diff hist +39 Rep:Mod:KA629943 →Optimization DFT 6-31G(d)
- 22:3422:34, 10 February 2014 diff hist +6 Rep:Mod:KA629943 →Optimization of the Transition State
- 22:3222:32, 10 February 2014 diff hist +340 Rep:Mod:KA629943 →Optimization of the Transition State
- 22:2922:29, 10 February 2014 diff hist 0 N File:JG HF TS Vib.gif No edit summary current
- 22:1922:19, 10 February 2014 diff hist +3,139 Rep:Mod:KA629943 →Syn Further Optimization
- 22:1722:17, 10 February 2014 diff hist −3,070 Rep:Mod:KA629943 →Optimization of the Reactants and Products