User contributions for Ajg110
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15 March 2013
- 12:2512:25, 15 March 2013 diff hist −4 Rep:Mod:gaussian y u no converge??! →cis-Butadiene LUMO
- 12:2512:25, 15 March 2013 diff hist +52 Rep:Mod:gaussian y u no converge??! →cis-Butadiene LUMO
- 12:2512:25, 15 March 2013 diff hist +52 Rep:Mod:gaussian y u no converge??! →cis-Butadiene HOMO
- 12:1212:12, 15 March 2013 diff hist +58 Rep:Mod:gaussian y u no converge??! →Activation energy for the Boat TS
- 12:1112:11, 15 March 2013 diff hist +210 Rep:Mod:gaussian y u no converge??! →Boat Transition State Optimisation with 6-31G* Basis Set
- 12:0912:09, 15 March 2013 diff hist +344 Rep:Mod:gaussian y u no converge??! →Chair Transition State Optimisation with 6-31G* Basis Set
- 12:0312:03, 15 March 2013 diff hist +352 Rep:Mod:gaussian y u no converge??! →Gauche Conformer
- 12:0312:03, 15 March 2013 diff hist 0 N File:DIENE GAUCHE 631G.LOG No edit summary current
- 11:5511:55, 15 March 2013 diff hist 0 Rep:Mod:gaussian y u no converge??! →Intrinsic Reaction Coordinate
- 11:4711:47, 15 March 2013 diff hist 0 Rep:Mod:gaussian y u no converge??! →Intrinsic Reaction Coordinate
- 11:4511:45, 15 March 2013 diff hist +5 Rep:Mod:gaussian y u no converge??! →Intrinsic Reaction Coordinate
- 11:4011:40, 15 March 2013 diff hist +347 Rep:Mod:gaussian y u no converge??! →Chair Transition State Optimisation Method 2: Frozen Co-ordinates
- 11:3811:38, 15 March 2013 diff hist +2 Rep:Mod:gaussian y u no converge??! →Chair Transition State Optimisation Method 2: Frozen Co-ordinates
- 11:3711:37, 15 March 2013 diff hist +38 Rep:Mod:gaussian y u no converge??! →Chair Transition State Optimisation Method 2: Frozen Co-ordinates
- 11:3611:36, 15 March 2013 diff hist +40 Rep:Mod:gaussian y u no converge??! →Chair Transition State Optimisation Method 1
- 11:2911:29, 15 March 2013 diff hist +443 Rep:Mod:gaussian y u no converge??! No edit summary
- 11:2311:23, 15 March 2013 diff hist 0 N File:Anti 631G pic.png No edit summary current
- 11:2011:20, 15 March 2013 diff hist +135 Rep:Mod:gaussian y u no converge??! No edit summary
13 March 2013
- 18:3318:33, 13 March 2013 diff hist +4 Rep:Mod:gaussian y u no converge??! →Endo Transition State
- 18:3318:33, 13 March 2013 diff hist −1 Rep:Mod:gaussian y u no converge??! →Endo Transition State
- 18:3118:31, 13 March 2013 diff hist +2 Rep:Mod:gaussian y u no converge??! →Endo Transition State
- 18:3018:30, 13 March 2013 diff hist 0 File:ENDO PART 2.LOG uploaded a new version of "File:ENDO PART 2.LOG" current
- 18:2718:27, 13 March 2013 diff hist −1 Rep:Mod:gaussian y u no converge??! →Endoo Transition State
- 18:2618:26, 13 March 2013 diff hist +670 Rep:Mod:gaussian y u no converge??! No edit summary
- 18:2218:22, 13 March 2013 diff hist 0 N File:Endo TS.png No edit summary
- 18:2218:22, 13 March 2013 diff hist 0 N File:Endo TS moving.gif No edit summary current
- 18:2218:22, 13 March 2013 diff hist 0 N File:ENDO PART 2.LOG No edit summary
- 18:2218:22, 13 March 2013 diff hist 0 N File:ENDO MAL ANHYD DIENE ENDO TS FREEZE OPT PART 1 321G.LOG No edit summary current
- 18:2218:22, 13 March 2013 diff hist 0 N File:Log 74244.log No edit summary current
- 18:2218:22, 13 March 2013 diff hist 0 File:Endo HOMO.png uploaded a new version of "File:Endo HOMO.png"
- 18:1418:14, 13 March 2013 diff hist 0 N File:Exo TS.png No edit summary
- 18:1018:10, 13 March 2013 diff hist +6 Rep:Mod:gaussian y u no converge??! →Transition State HOMO
- 18:0318:03, 13 March 2013 diff hist +118 Rep:Mod:gaussian y u no converge??! No edit summary
- 17:4917:49, 13 March 2013 diff hist +6 Rep:Mod:gaussian y u no converge??! →Exo Transition State
- 17:4617:46, 13 March 2013 diff hist +603 Rep:Mod:gaussian y u no converge??! No edit summary
- 17:4117:41, 13 March 2013 diff hist 0 File:HOMO exo.png uploaded a new version of "File:HOMO exo.png" current
- 17:4117:41, 13 March 2013 diff hist 0 N File:Mal anhyd diene TS freeze opt part 1 321G.log No edit summary current
- 17:4017:40, 13 March 2013 diff hist 0 N File:MAL ANHYD DIENE TS FREEZE OPT PART 2 631G.LOG No edit summary current
- 17:4017:40, 13 March 2013 diff hist 0 N File:Log 74233.log No edit summary current
- 17:4017:40, 13 March 2013 diff hist 0 N File:Exo TS moving.gif No edit summary current
- 17:1417:14, 13 March 2013 diff hist +425 Rep:Mod:gaussian y u no converge??! No edit summary
- 17:1117:11, 13 March 2013 diff hist 0 File:MALEIC ANHYDRIDE OPT.LOG uploaded a new version of "File:MALEIC ANHYDRIDE OPT.LOG" current
- 17:1117:11, 13 March 2013 diff hist 0 N File:Mal anyhd image.png No edit summary current
- 16:5916:59, 13 March 2013 diff hist +401 Rep:Mod:gaussian y u no converge??! No edit summary
- 16:5816:58, 13 March 2013 diff hist 0 N File:CYCLOHEXADIENE OPT DOUBLE BOND.LOG No edit summary current
- 16:5816:58, 13 March 2013 diff hist 0 N File:CHD image.png No edit summary current
- 16:3716:37, 13 March 2013 diff hist +107 Rep:Mod:gaussian y u no converge??! No edit summary
- 16:2016:20, 13 March 2013 diff hist +73 Rep:Mod:gaussian y u no converge??! No edit summary
- 16:1916:19, 13 March 2013 diff hist 0 N File:DA lowest freq vibration.gif No edit summary current
- 16:0816:08, 13 March 2013 diff hist +43 Rep:Mod:gaussian y u no converge??! No edit summary