User contributions for Aac211
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28 October 2013
- 15:3715:37, 28 October 2013 diff hist 0 N File:LUMO side MA alix.JPG No edit summary current
- 15:3715:37, 28 October 2013 diff hist 0 N File:LUMO MA alix.JPG No edit summary current
- 15:3615:36, 28 October 2013 diff hist 0 N File:HOMO top view cyclohexa.JPG No edit summary current
- 15:3615:36, 28 October 2013 diff hist 0 N File:HOMO side cyclohexa alix.JPG No edit summary current
- 15:1615:16, 28 October 2013 diff hist +220 Rep:Mod:physMALIX9093 →Optimisation of Endo TS
- 15:1115:11, 28 October 2013 diff hist +6 Rep:Mod:physMALIX9093 →Optimisation of Endo TS
- 15:1115:11, 28 October 2013 diff hist +1 Rep:Mod:physMALIX9093 →Optimisation of Endo TS
- 15:1015:10, 28 October 2013 diff hist +213 Rep:Mod:physMALIX9093 →Optimisation of Endo TS
- 15:0415:04, 28 October 2013 diff hist 0 N File:Exo labels alix.JPG No edit summary current
- 15:0415:04, 28 October 2013 diff hist 0 N File:Endo labels alix.JPG No edit summary current
- 15:0115:01, 28 October 2013 diff hist +50 Rep:Mod:physMALIX9093 →Optimisation of Endo TS
- 14:5714:57, 28 October 2013 diff hist +582 Rep:Mod:physMALIX9093 →Optimisation of Endo TS
- 14:2214:22, 28 October 2013 diff hist +67 Rep:Mod:physMALIX9093 →Optimisation of the Exo Transition State
- 14:2214:22, 28 October 2013 diff hist +706 Rep:Mod:physMALIX9093 →Optimisation of Endo TS
- 14:1714:17, 28 October 2013 diff hist +1,213 Rep:Mod:physMALIX9093 →Optimisation of the Transition States
- 14:0014:00, 28 October 2013 diff hist +1 Rep:Mod:physMALIX9093 →Optimisation by Computing the Hessian
- 13:5913:59, 28 October 2013 diff hist +47 Rep:Mod:physMALIX9093 →Optimisation of Exo TS
- 13:5813:58, 28 October 2013 diff hist +519 Rep:Mod:physMALIX9093 →Part 2 : Study the regioselectivity of the Diels Alder Reaction
- 13:4513:45, 28 October 2013 diff hist +179 Rep:Mod:physMALIX9093 →Optimising reactants and products
- 13:3413:34, 28 October 2013 diff hist +101 Rep:Mod:physMALIX9093 →Using the QST3 Method
- 13:3313:33, 28 October 2013 diff hist +997 Rep:Mod:physMALIX9093 →Using the QST3 Method
- 13:1913:19, 28 October 2013 diff hist +118 Rep:Mod:physMALIX9093 →Using the QST3 Method
- 13:1613:16, 28 October 2013 diff hist +5 Rep:Mod:physMALIX9093 →Using the Hessian Method
- 13:1613:16, 28 October 2013 diff hist −9 Rep:Mod:physMALIX9093 →Using the Hessian Method
- 13:1613:16, 28 October 2013 diff hist +54 Rep:Mod:physMALIX9093 →Using the Hessian Method
- 13:1313:13, 28 October 2013 diff hist +807 Rep:Mod:physMALIX9093 →Using the Hessian Method
- 13:0813:08, 28 October 2013 diff hist +4 Rep:Mod:physMALIX9093 →Optimisation of the Product: Cyclohexene
- 13:0713:07, 28 October 2013 diff hist +65 Rep:Mod:physMALIX9093 →Optimisation of the Transition State
- 13:0613:06, 28 October 2013 diff hist +12 Rep:Mod:physMALIX9093 →Optimisation of the Product: Cyclohexene
- 13:0613:06, 28 October 2013 diff hist +438 Rep:Mod:physMALIX9093 →Optimisation of the Product
- 13:0113:01, 28 October 2013 diff hist +4 Rep:Mod:physMALIX9093 →Optimisation of Reactants
- 13:0113:01, 28 October 2013 diff hist −17 Rep:Mod:physMALIX9093 →Optimisation of Ethylene
- 13:0013:00, 28 October 2013 diff hist +445 Rep:Mod:physMALIX9093 →Optimisation of Ethylene
- 12:4612:46, 28 October 2013 diff hist −3 Rep:Mod:physMALIX9093 →Optimisation of Ethylene
- 12:4512:45, 28 October 2013 diff hist 0 N File:Ethylene opt alix.JPG No edit summary current
- 12:4412:44, 28 October 2013 diff hist 0 N File:ETHYLENE OPT ALIX.LOG No edit summary current
- 12:4412:44, 28 October 2013 diff hist 0 N File:Ethylene opt alix.chk No edit summary current
- 12:4412:44, 28 October 2013 diff hist +378 Rep:Mod:physMALIX9093 →Optimisation of Ethylene
- 12:4112:41, 28 October 2013 diff hist +1,072 Rep:Mod:physMALIX9093 →Optimisation of Ethylene
27 October 2013
- 21:1221:12, 27 October 2013 diff hist +1,134 Rep:Mod:physMALIX9093 →Optimisation of Transition State
- 21:0921:09, 27 October 2013 diff hist −1,051 Rep:Mod:physMALIX9093 →Optimisation of Transition State
- 21:0821:08, 27 October 2013 diff hist +2 Rep:Mod:physMALIX9093 →Optimisation of Ethylene
- 21:0821:08, 27 October 2013 diff hist +34 Rep:Mod:physMALIX9093 →Optimisation of Cis-Butadiene
- 21:0121:01, 27 October 2013 diff hist +628 Rep:Mod:physMALIX9093 →Optimisation of Cis Butadiene
- 20:4620:46, 27 October 2013 diff hist −14 Rep:Mod:physMALIX9093 →Computing Activation Energies
- 20:4320:43, 27 October 2013 diff hist −852 Rep:Mod:physMALIX9093 →Computing Activation Energies
- 20:4020:40, 27 October 2013 diff hist +5 Rep:Mod:physMALIX9093 →Intrinsic Reaction Coordinates
- 20:4020:40, 27 October 2013 diff hist −9 Rep:Mod:physMALIX9093 →Intrinsic Reaction Coordinates
- 20:3920:39, 27 October 2013 diff hist −4 Rep:Mod:physMALIX9093 →Intrinsic Reaction Coordinates
- 20:3920:39, 27 October 2013 diff hist −8 Rep:Mod:physMALIX9093 →Intrinsic Reaction Coordinates