User contributions for Aac211
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25 October 2013
- 13:4313:43, 25 October 2013 diff hist 0 N File:TS side 631G alix.JPG No edit summary current
- 13:4313:43, 25 October 2013 diff hist 0 N File:Cis butadiene TS BOND DISTANCES alix.JPG No edit summary current
- 13:3613:36, 25 October 2013 diff hist +350 Rep:Mod:physMALIX9093 →Optimisation of Cis Butadiene
- 13:0713:07, 25 October 2013 diff hist +1,079 Rep:Mod:physMALIX9093 →Optimisation of Cis Butadiene
- 12:5412:54, 25 October 2013 diff hist +2,649 Rep:Mod:physMALIX9093 →Optimisation of Cis Butadiene
- 11:5411:54, 25 October 2013 diff hist +112 Rep:Mod:physMALIX9093 →Optimisation of Cis Butadiene
- 11:4911:49, 25 October 2013 diff hist 0 N File:LUMO cis butadiene alix.jpg No edit summary
- 11:4811:48, 25 October 2013 diff hist 0 N File:HOMO cis butadiene alix.jpg No edit summary
- 11:4811:48, 25 October 2013 diff hist +369 Rep:Mod:physMALIX9093 →Optimisation of Cis Butadiene
- 11:2811:28, 25 October 2013 diff hist +38 Rep:Mod:physMALIX9093 →Revisited QST2 Method
- 11:2111:21, 25 October 2013 diff hist +4 Rep:Mod:physMALIX9093 →Optimisation of Cis Butadiene
- 11:2011:20, 25 October 2013 diff hist +220 Rep:Mod:physMALIX9093 →Optimisation of Cis Butadiene
- 11:1811:18, 25 October 2013 diff hist 0 N File:CIS BUTADIENE 631G OPT ALIX.chk No edit summary current
- 11:1711:17, 25 October 2013 diff hist 0 N File:CIS BUTADIENE 631G OPT ALIX.LOG No edit summary current
- 11:1711:17, 25 October 2013 diff hist 0 N File:CIS BUTADIENE HF OPT ALIX.chk No edit summary current
- 11:1711:17, 25 October 2013 diff hist 0 N File:CIS BUTADIENE HF OPT ALIX.LOG No edit summary current
- 11:1611:16, 25 October 2013 diff hist 0 N File:Cis butadiene AM1 opt alix.chk No edit summary current
- 11:1611:16, 25 October 2013 diff hist 0 N File:CIS BUTADIENE AM1 OPT ALIX.LOG No edit summary current
- 11:1611:16, 25 October 2013 diff hist 0 N File:Cis butadiene alix.jpg No edit summary current
- 11:1411:14, 25 October 2013 diff hist +64 Rep:Mod:physMALIX9093 →Optimisation of Cis Butadiene
- 11:1311:13, 25 October 2013 diff hist +533 Rep:Mod:physMALIX9093 →Optimisation of Cis Butadiene
- 11:0011:00, 25 October 2013 diff hist 0 Rep:Mod:physMALIX9093 →Optimising Boat using a higher basis set
- 10:5110:51, 25 October 2013 diff hist +962 Rep:Mod:physMALIX9093 →Optimising Boat using a higher basis set
- 10:5010:50, 25 October 2013 diff hist +36 Rep:Mod:physMALIX9093 →Optimising Boat using a higher basis set
- 10:4810:48, 25 October 2013 diff hist +48 Rep:Mod:physMALIX9093 →Optimising Boat using a higher basis set
- 10:4310:43, 25 October 2013 diff hist +60 Rep:Mod:physMALIX9093 →Optimising Boat using a higher basis set
- 10:3310:33, 25 October 2013 diff hist +1,303 Rep:Mod:physMALIX9093 →Optimising Boat using a higher basis set
- 10:3010:30, 25 October 2013 diff hist −1,447 Rep:Mod:physMALIX9093 →Optimising Chair using a higher basis set
- 10:2410:24, 25 October 2013 diff hist +1,447 Rep:Mod:physMALIX9093 →Optimising Chair using a higher basis set
24 October 2013
- 16:1016:10, 24 October 2013 diff hist +36 Rep:Mod:physMALIX9093 →Using the QST2 Method
- 16:0916:09, 24 October 2013 diff hist 0 N File:TS QST2 failed distances ALIX.jpg No edit summary current
- 15:5915:59, 24 October 2013 diff hist +8 Rep:Mod:physMALIX9093 →Using the QST2 Method
- 15:5215:52, 24 October 2013 diff hist −1 Rep:Mod:physMALIX9093 →Using the QST2 Method
- 15:5215:52, 24 October 2013 diff hist +1 Rep:Mod:physMALIX9093 →Using the QST2 Method
- 15:5115:51, 24 October 2013 diff hist 0 File:BOAT reactant labels ALIX.jpg uploaded a new version of "File:BOAT reactant labels ALIX.jpg" current
- 15:5015:50, 24 October 2013 diff hist 0 File:BOAT product labels ALIX.jpg uploaded a new version of "File:BOAT product labels ALIX.jpg" current
- 15:4815:48, 24 October 2013 diff hist +35 Rep:Mod:physMALIX9093 →Using the QST2 Method
- 15:4815:48, 24 October 2013 diff hist 0 N File:TS QST2 failed ALIX.jpg No edit summary current
- 15:3415:34, 24 October 2013 diff hist +200 Rep:Mod:physMALIX9093 →Optimisation of Cis Butadiene
- 15:3415:34, 24 October 2013 diff hist +45 Rep:Mod:physMALIX9093 →Optimisation of Cis Butadiene
- 15:3415:34, 24 October 2013 diff hist +25 Rep:Mod:physMALIX9093 →Optimising Boat using a higher basis set
- 15:3415:34, 24 October 2013 diff hist +33 Rep:Mod:physMALIX9093 →Optimising Chair using a higher basis set
- 15:3315:33, 24 October 2013 diff hist +8 Rep:Mod:physMALIX9093 →Optimising Chair TS (gauche 2)
- 15:3315:33, 24 October 2013 diff hist +8 Rep:Mod:physMALIX9093 →Optimising Chair TS (gauche 2)
- 15:3315:33, 24 October 2013 diff hist +13 Rep:Mod:physMALIX9093 →Optimising Chair TS (gauche 2)
- 15:3315:33, 24 October 2013 diff hist −16 Rep:Mod:physMALIX9093 →Optimising minimum
- 15:3315:33, 24 October 2013 diff hist +41 Rep:Mod:physMALIX9093 →Optimising minimum
- 15:3215:32, 24 October 2013 diff hist +8 Rep:Mod:physMALIX9093 →Chair
- 15:3215:32, 24 October 2013 diff hist −36 Rep:Mod:physMALIX9093 →Chair
- 15:3215:32, 24 October 2013 diff hist +88 Rep:Mod:physMALIX9093 →Chair