User contributions for Aac211
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25 October 2013
- 16:1216:12, 25 October 2013 diff hist +197 Rep:Mod:physMALIX9093 →Optimisation by Freezing the Coordinates
- 15:5215:52, 25 October 2013 diff hist +28 Rep:Mod:physMALIX9093 →Using the QST2 Method
- 15:4515:45, 25 October 2013 diff hist −4 Rep:Mod:physMALIX9093 →Using the QST2 Method
- 15:4015:40, 25 October 2013 diff hist +158 Rep:Mod:physMALIX9093 →Using the QST2 Method
- 15:3515:35, 25 October 2013 diff hist 0 File:TS QST2 failed labels ALIX.JPG uploaded a new version of "File:TS QST2 failed labels ALIX.JPG" current
- 15:3315:33, 25 October 2013 diff hist 0 N File:TS QST2 failed labels ALIX.JPG No edit summary
- 15:2215:22, 25 October 2013 diff hist 0 Rep:Mod:physMALIX9093 →Optimisation of Exo TS
- 15:1415:14, 25 October 2013 diff hist +1,342 Rep:Mod:physMALIX9093 →Optimising reactants and products
- 15:1215:12, 25 October 2013 diff hist −2 Rep:Mod:physMALIX9093 →Optimisation of Transition State
- 15:1215:12, 25 October 2013 diff hist +1 Rep:Mod:physMALIX9093 →Optimising reactants and products
- 15:1115:11, 25 October 2013 diff hist +161 Rep:Mod:physMALIX9093 →Optimising reactants and products
- 15:0815:08, 25 October 2013 diff hist 0 N File:Product endo 4 ALIX.chk No edit summary current
- 15:0715:07, 25 October 2013 diff hist 0 N File:PRODUCT ENDO 4 ALIX.LOG No edit summary current
- 15:0715:07, 25 October 2013 diff hist 0 N File:Product exo 3 ALIX.chk No edit summary current
- 15:0515:05, 25 October 2013 diff hist 0 N File:PRODUCT EXO 3 ALIX.LOG No edit summary current
- 15:0515:05, 25 October 2013 diff hist 0 N File:Reactant 2 ALIX.chk No edit summary current
- 15:0415:04, 25 October 2013 diff hist 0 N File:REACTANT 2 ALIX.LOG No edit summary current
- 15:0415:04, 25 October 2013 diff hist 0 N File:Reactant 1 ALIX.chk No edit summary current
- 15:0415:04, 25 October 2013 diff hist 0 N File:REACTANT 1 ALIX.LOG No edit summary current
- 15:0315:03, 25 October 2013 diff hist 0 N File:Endo alix.JPG No edit summary current
- 15:0315:03, 25 October 2013 diff hist 0 N File:Exo alix.JPG No edit summary current
- 15:0315:03, 25 October 2013 diff hist 0 N File:Maleic an alix.JPG No edit summary current
- 15:0215:02, 25 October 2013 diff hist 0 N File:Cyclohexadiene alix.JPG No edit summary current
- 15:0115:01, 25 October 2013 diff hist +1,588 Rep:Mod:physMALIX9093 →Part 2 : Study the regioselectivity of the Diels Alder Reaction
- 14:2314:23, 25 October 2013 diff hist +1,088 Rep:Mod:physMALIX9093 →Part 2 : Study the regioselectivity of the Diels Alder Reaction
- 14:2014:20, 25 October 2013 diff hist +2 Rep:Mod:physMALIX9093 →Part : Study the regioselectivity of the Diels Alder Reaction
- 14:2014:20, 25 October 2013 diff hist +126 Rep:Mod:physMALIX9093 →Optimisation of Cis Butadiene
- 14:1714:17, 25 October 2013 diff hist +288 Rep:Mod:physMALIX9093 →Optimisation of Cis Butadiene
- 14:0914:09, 25 October 2013 diff hist 0 Rep:Mod:physMALIX9093 →Optimisation of Cis Butadiene
- 14:0914:09, 25 October 2013 diff hist −3 Rep:Mod:physMALIX9093 →Optimisation of Cis Butadiene
- 14:0314:03, 25 October 2013 diff hist −10 Rep:Mod:physMALIX9093 →Optimisation of Cis Butadiene
- 14:0014:00, 25 October 2013 diff hist +184 Rep:Mod:physMALIX9093 →Optimisation of Cis Butadiene
- 13:5113:51, 25 October 2013 diff hist 0 N File:LUMO side2 TS QST3 alix.JPG No edit summary current
- 13:5113:51, 25 October 2013 diff hist 0 N File:LUMO side TS QST3 alix.JPG No edit summary current
- 13:5013:50, 25 October 2013 diff hist 0 N File:LUMO TS QST3 alix.JPG No edit summary current
- 13:5013:50, 25 October 2013 diff hist 0 N File:HOMO side TS QST3 alix.JPG No edit summary current
- 13:5013:50, 25 October 2013 diff hist 0 N File:HOMO TS QST3 alix.JPG No edit summary current
- 13:4913:49, 25 October 2013 diff hist 0 N File:TS QST3 OPT guess1 ALIX.chk No edit summary current
- 13:4913:49, 25 October 2013 diff hist 0 N File:TS HF OPT GUESS1 ALIX.log No edit summary current
- 13:4813:48, 25 October 2013 diff hist 0 N File:TS 631G OPT guess1 ALIX.chk No edit summary current
- 13:4813:48, 25 October 2013 diff hist 0 N File:TS 631G OPT GUESS1 ALIX.LOG No edit summary current
- 13:4713:47, 25 October 2013 diff hist 0 N File:TS QST3 OPT GUESS1 ALIX.LOG No edit summary current
- 13:4613:46, 25 October 2013 diff hist 0 N File:Product alix.JPG No edit summary current
- 13:4613:46, 25 October 2013 diff hist 0 N File:PRODUCT 631G OPT ALIX.LOG No edit summary current
- 13:4613:46, 25 October 2013 diff hist 0 N File:Product 631G OPT ALIX.chk No edit summary current
- 13:4513:45, 25 October 2013 diff hist 0 N File:TS 631G alix.JPG No edit summary current
- 13:4413:44, 25 October 2013 diff hist 0 N File:TS imaginary freq QST3 alix.gif No edit summary current
- 13:4413:44, 25 October 2013 diff hist 0 N File:TS vibrations QST3 alix.JPG No edit summary current
- 13:4413:44, 25 October 2013 diff hist 0 N File:TS sQST3 alix.JPG No edit summary current
- 13:4413:44, 25 October 2013 diff hist 0 N File:TS side QST3 alix.JPG No edit summary current