User contributions for Wd812
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9 November 2014
- 21:4721:47, 9 November 2014 diff hist +473 User:Wd812 →Regioselectivity: Cyclohexa-1,3-diene and maleic anhydride reaction
- 21:4021:40, 9 November 2014 diff hist +24 User:Wd812 →Transition State Optimisation using AM1
- 21:3821:38, 9 November 2014 diff hist 0 N File:ENDO QST2.LOG No edit summary current
- 21:3721:37, 9 November 2014 diff hist 0 N File:Endo numbering.PNG No edit summary current
- 21:3421:34, 9 November 2014 diff hist +199 User:Wd812 →Regioselectivity: Cyclohexa-1,3-diene and maleic anhydride reaction
- 21:3221:32, 9 November 2014 diff hist +85 User:Wd812 →Transition State Optimisation using AM1
- 21:3021:30, 9 November 2014 diff hist 0 N File:ITS AM1opt.gif No edit summary current
- 21:2021:20, 9 November 2014 diff hist +15 User:Wd812 →Transition State Optimisation using AM1
- 21:1721:17, 9 November 2014 diff hist +2 User:Wd812 →Transition State Optimisation using AM1
- 21:1721:17, 9 November 2014 diff hist +60 User:Wd812 →Transition State Optimisation using AM1
- 21:1521:15, 9 November 2014 diff hist +117 User:Wd812 →Transition State Optimisation using AM1
- 21:1521:15, 9 November 2014 diff hist 0 N File:IRCpath(both).PNG No edit summary current
- 21:1421:14, 9 November 2014 diff hist 0 N File:IIRC.LOG No edit summary current
- 21:1321:13, 9 November 2014 diff hist +330 User:Wd812 →Transition State Optimisation using AM1
- 21:1021:10, 9 November 2014 diff hist +175 User:Wd812 →Transition State Optimisation
- 21:0521:05, 9 November 2014 diff hist 0 N File:ITS AM1OPT.LOG No edit summary current
- 21:0321:03, 9 November 2014 diff hist +39 User:Wd812 →Reactant-Ethylene Optimisation
- 21:0321:03, 9 November 2014 diff hist +383 User:Wd812 →Optimisation using AM1 semi-empirical molecular orbital method
- 20:2620:26, 9 November 2014 diff hist +66 User:Wd812 →Optimisation using AM1 semi-empirical molecular orbital method
- 20:2520:25, 9 November 2014 diff hist 0 N File:ETHYLENE1.LOG No edit summary current
- 20:2320:23, 9 November 2014 diff hist 0 User:Wd812 →Optimisation using AM1 semi-empirical molecular orbital method
- 20:0920:09, 9 November 2014 diff hist 0 User:Wd812 →Reactant Ethylene Optimisation
- 20:0920:09, 9 November 2014 diff hist +451 User:Wd812 →Cis-butadiene Reactant Optimisation
- 20:0020:00, 9 November 2014 diff hist −7 User:Wd812 →Cis-butadiene Reactant Optimisation
- 19:5919:59, 9 November 2014 diff hist −8 User:Wd812 →HOMO and LUMO orbital
- 19:5819:58, 9 November 2014 diff hist +22 User:Wd812 →Cis-butadiene
- 19:3319:33, 9 November 2014 diff hist 0 N File:IiTS.gjf No edit summary
- 19:3219:32, 9 November 2014 diff hist +8 User:Wd812 →Optimisation at B3LYP/6-31G* level
- 19:3119:31, 9 November 2014 diff hist +450 User:Wd812 →Optimisation at B3LYP/6-31G* level
- 19:2819:28, 9 November 2014 diff hist +68 User:Wd812 →Diels Alder reaction study
- 19:2619:26, 9 November 2014 diff hist 0 N File:I)631.LOG No edit summary current
- 19:2619:26, 9 November 2014 diff hist 0 File:I)OPT2.LOG Wd812 uploaded a new version of "File:I)OPT2.LOG" current
- 19:2519:25, 9 November 2014 diff hist 0 File:I)OPT2.LOG Wd812 uploaded a new version of "File:I)OPT2.LOG"
- 19:2419:24, 9 November 2014 diff hist +108 User:Wd812 →Optimisation at B3LYP/6-31G* level
- 19:2319:23, 9 November 2014 diff hist +268 User:Wd812 →Optimisation at B3LYP/6-31G* level
- 19:2019:20, 9 November 2014 diff hist 0 N File:I)631LUMO.PNG No edit summary current
- 19:2019:20, 9 November 2014 diff hist 0 N File:I)631HOMO.PNG No edit summary current
- 19:1619:16, 9 November 2014 diff hist −51 User:Wd812 →Molecular orbital geometry optimization
- 19:1619:16, 9 November 2014 diff hist +46 User:Wd812 →HOMO and LUMO orbital
- 19:1219:12, 9 November 2014 diff hist +12 User:Wd812 →HOMO and LUMO orbital
- 19:1219:12, 9 November 2014 diff hist +91 User:Wd812 →HOMO and LUMO orbital
- 19:1019:10, 9 November 2014 diff hist −30 User:Wd812 →HOMO and LUMO orbital
- 19:0919:09, 9 November 2014 diff hist −4 User:Wd812 →HOMO and LUMO orbital
- 19:0919:09, 9 November 2014 diff hist 0 User:Wd812 →HOMO and LUMO orbital
- 19:0819:08, 9 November 2014 diff hist +126 User:Wd812 →HOMO and LUMO orbital
- 19:0319:03, 9 November 2014 diff hist 0 User:Wd812 →Frequency and IR check
- 19:0219:02, 9 November 2014 diff hist 0 N File:I)LUMO.PNG No edit summary current
- 19:0219:02, 9 November 2014 diff hist 0 N File:I)HOMO.PNG No edit summary current
- 19:0019:00, 9 November 2014 diff hist +466 User:Wd812 →Cis-butadiene
- 18:5818:58, 9 November 2014 diff hist 0 N File:LUMO.tif No edit summary current