User contributions for Ajg110
Appearance
13 March 2013
- 16:0616:06, 13 March 2013 diff hist +217 Rep:Mod:gaussian y u no converge??! No edit summary
- 16:0416:04, 13 March 2013 diff hist +638 Rep:Mod:gaussian y u no converge??! No edit summary
- 15:5415:54, 13 March 2013 diff hist 0 N File:DA TS OPT TRY3 FROZEN PART 2.LOG No edit summary current
- 15:5415:54, 13 March 2013 diff hist 0 N File:DA TS OPT TRY3 FROZEN.LOG No edit summary current
- 15:5415:54, 13 March 2013 diff hist 0 File:DA TS LUMO.png uploaded a new version of "File:DA TS LUMO.png" current
- 15:5415:54, 13 March 2013 diff hist 0 N File:DA TS HOMO animated.gif No edit summary current
- 15:5415:54, 13 March 2013 diff hist 0 File:DA TS HOMO.png uploaded a new version of "File:DA TS HOMO.png" current
- 15:3315:33, 13 March 2013 diff hist +12 Rep:Mod:gaussian y u no converge??! No edit summary
- 15:3215:32, 13 March 2013 diff hist +475 Rep:Mod:gaussian y u no converge??! No edit summary
- 15:3115:31, 13 March 2013 diff hist 0 N File:Butadiene LUMO.png No edit summary
- 15:3115:31, 13 March 2013 diff hist 0 N File:Butadiene HOMO.png No edit summary
- 15:3115:31, 13 March 2013 diff hist 0 File:BUTADIENE OPT.LOG uploaded a new version of "File:BUTADIENE OPT.LOG"
12 March 2013
- 18:5918:59, 12 March 2013 diff hist +36 Rep:Mod:gaussian y u no converge??! No edit summary
- 18:5718:57, 12 March 2013 diff hist +394 Rep:Mod:gaussian y u no converge??! No edit summary
- 18:5718:57, 12 March 2013 diff hist 0 File:BOAT TS OPT 631G.LOG uploaded a new version of "File:BOAT TS OPT 631G.LOG" current
- 18:5518:55, 12 March 2013 diff hist −7 Rep:Mod:gaussian y u no converge??! →Chair Chair Transition State Optimisation with 6-31G* Basis Set
- 18:5018:50, 12 March 2013 diff hist +405 Rep:Mod:gaussian y u no converge??! No edit summary
- 18:5018:50, 12 March 2013 diff hist 0 N File:CHAIR TS OPT AG 631G.LOG No edit summary current
- 18:4418:44, 12 March 2013 diff hist +178 Rep:Mod:gaussian y u no converge??! No edit summary
- 18:4118:41, 12 March 2013 diff hist 0 N File:Log 73795.log No edit summary current
- 18:3318:33, 12 March 2013 diff hist +3 Rep:Mod:gaussian y u no converge??! →Transition State Vibration:
- 18:3218:32, 12 March 2013 diff hist 0 N File:Boat TS annimation 1.gif No edit summary current
- 18:2118:21, 12 March 2013 diff hist +463 Rep:Mod:gaussian y u no converge??! No edit summary
- 18:2118:21, 12 March 2013 diff hist 0 N File:ANTI TS OPT WIN.LOG No edit summary current
- 18:2118:21, 12 March 2013 diff hist 0 N File:Boat TS animation.gif No edit summary current
- 18:1618:16, 12 March 2013 diff hist +590 Rep:Mod:gaussian y u no converge??! No edit summary
- 18:1318:13, 12 March 2013 diff hist 0 N File:FREEZE COORDINATE METHOD PART 2 NEWEST.LOG No edit summary current
- 18:1318:13, 12 March 2013 diff hist 0 N File:FREEZE COORDINATE METHOD PART 1.LOG No edit summary current
- 18:0918:09, 12 March 2013 diff hist −9 Rep:Mod:gaussian y u no converge??! No edit summary
- 18:0918:09, 12 March 2013 diff hist 0 N File:CHAIR TS OPT AG 321G ACTUAL V3.LOG No edit summary current
- 18:0818:08, 12 March 2013 diff hist +352 Rep:Mod:gaussian y u no converge??! No edit summary
- 18:0418:04, 12 March 2013 diff hist +16 Rep:Mod:gaussian y u no converge??! →Boat Transition State Optimisation Method 1
- 18:0418:04, 12 March 2013 diff hist +308 Rep:Mod:gaussian y u no converge??! No edit summary
- 18:0118:01, 12 March 2013 diff hist 0 N File:TS animation chair AG.gif No edit summary current
- 18:0118:01, 12 March 2013 diff hist 0 N File:Chair TS pic.png No edit summary current
- 18:0118:01, 12 March 2013 diff hist 0 N File:CHAIR TS OPT AG 321G ACTUAL V3 WITH CHK.LOG No edit summary current
- 17:5317:53, 12 March 2013 diff hist +22 Rep:Mod:gaussian y u no converge??! →Optimisation of the allyl C3H5 fragment
- 17:5317:53, 12 March 2013 diff hist +798 Rep:Mod:gaussian y u no converge??! No edit summary
- 17:5317:53, 12 March 2013 diff hist 0 N File:ALLYL FRAGMENT 321G.LOG No edit summary current
- 17:4317:43, 12 March 2013 diff hist +5 Rep:Mod:gaussian y u no converge??! No edit summary
- 17:4217:42, 12 March 2013 diff hist +46 Rep:Mod:gaussian y u no converge??! →Gauche Conformer
- 17:4117:41, 12 March 2013 diff hist +123 Rep:Mod:gaussian y u no converge??! →Anti Conformer
- 17:4017:40, 12 March 2013 diff hist +1 Rep:Mod:gaussian y u no converge??! No edit summary
- 17:3917:39, 12 March 2013 diff hist +59 Rep:Mod:gaussian y u no converge??! No edit summary
- 17:3917:39, 12 March 2013 diff hist 0 N File:Anti diene IR.png No edit summary current
- 17:3517:35, 12 March 2013 diff hist +20 Rep:Mod:gaussian y u no converge??! →Thermochemistry
- 17:3417:34, 12 March 2013 diff hist −74 Rep:Mod:gaussian y u no converge??! →Thermochemistry
- 17:3417:34, 12 March 2013 diff hist +363 Rep:Mod:gaussian y u no converge??! No edit summary
- 17:1017:10, 12 March 2013 diff hist +1,167 Rep:Mod:gaussian y u no converge??! No edit summary
- 17:0417:04, 12 March 2013 diff hist +939 Rep:Mod:gaussian y u no converge??! →Optimisation of 1,5-hexadiene