User contributions for Jl8913
Appearance
10 March 2016
- 03:0003:00, 10 March 2016 diff hist +82 N File:JLchairfrozen.LOG Jason Li Transition State chair transition state using frozen bond method log file current
- 02:2602:26, 10 March 2016 diff hist +764 Rep:Mod:jl8913TS →Optimisation of 1,5-hexadiene's Chair Transition State via use of TS Berny Method at HF/3-21G theory, guess method
- 02:1502:15, 10 March 2016 diff hist +1,820 Rep:Mod:jl8913TS No edit summary
- 02:1402:14, 10 March 2016 diff hist +57 N File:JLchairguess.LOG Jason Li Transition State chair transition state log file current
- 01:5701:57, 10 March 2016 diff hist +49 N File:JLallyl.LOG Jason Li Transition State Allyl fragment log file current
- 01:1801:18, 10 March 2016 diff hist +1,799 Rep:Mod:jl8913TS No edit summary
- 00:1100:11, 10 March 2016 diff hist +170 Rep:Mod:jl8913TS No edit summary
9 March 2016
- 23:5023:50, 9 March 2016 diff hist +167 Rep:Mod:jl8913TS →B3LYP/6-31G(d) Optimisation
- 21:1621:16, 9 March 2016 diff hist +59 Rep:Mod:jl8913TS No edit summary
- 21:1621:16, 9 March 2016 diff hist +64 N File:JLanti2 B3LYP Freq.LOG Jason Li Transition State anti 2 conformer IR frequency log file current
- 21:1421:14, 9 March 2016 diff hist −1 Rep:Mod:jl8913TS →Frequency Analysis on Anti B3LYP/6-31G Conformer
- 21:1121:11, 9 March 2016 diff hist +2 Rep:Mod:jl8913TS →Frequency Analysis on Anti B3LYP/6-31G Conformer
- 21:1121:11, 9 March 2016 diff hist +9 Rep:Mod:jl8913TS No edit summary
- 21:0821:08, 9 March 2016 diff hist +2 Rep:Mod:jl8913TS →Frequency Analysis on Anti B3LYP/6-31G Conformer
- 21:0721:07, 9 March 2016 diff hist +39 N File:JLIRanti2.PNG Jason Li Transition State anti B3LYP IR current
- 21:0521:05, 9 March 2016 diff hist −25 Rep:Mod:jl8913TS →Frequency Analysis on Anti B3LYP/6-31G Conformer
- 21:0121:01, 9 March 2016 diff hist +7 Rep:Mod:jl8913TS →Frequency Analysis on Anti B3LYP/6-31G Conformer
- 21:0021:00, 9 March 2016 diff hist −17 Rep:Mod:jl8913TS →Frequency Analysis on Anti B3LYP/6-31G Conformer
- 21:0021:00, 9 March 2016 diff hist −2 Rep:Mod:jl8913TS →Frequency Analysis on Anti B3LYP/6-31G Conformer
- 20:5920:59, 9 March 2016 diff hist −1 Rep:Mod:jl8913TS →Frequency Analysis on Anti B3LYP/6-31G Conformer
- 20:5820:58, 9 March 2016 diff hist −1 Rep:Mod:jl8913TS →Frequency Analysis on Anti B3LYP/6-31G Conformer
- 20:5820:58, 9 March 2016 diff hist +51 Rep:Mod:jl8913TS →Frequency Analysis on Anti B3LYP/6-31G Conformer
- 20:5420:54, 9 March 2016 diff hist +19 Rep:Mod:jl8913TS →Frequency Analysis on Anti B3LYP/6-31G Conformer
- 20:3420:34, 9 March 2016 diff hist −6 Rep:Mod:jl8913TS →Frequency Analysis on Anti B3LYP/6-31G Conformer
- 20:2920:29, 9 March 2016 diff hist +304 Rep:Mod:jl8913TS No edit summary
- 20:1720:17, 9 March 2016 diff hist +330 Rep:Mod:jl8913TS No edit summary
- 20:0420:04, 9 March 2016 diff hist +498 Rep:Mod:jl8913TS No edit summary
- 19:5619:56, 9 March 2016 diff hist 0 File:JLanti2 B3LYP OPT.LOG Jl8913 uploaded a new version of File:JLanti2 B3LYP OPT.LOG current
- 19:4119:41, 9 March 2016 diff hist +28 Rep:Mod:jl8913TS No edit summary
- 19:3419:34, 9 March 2016 diff hist +426 Rep:Mod:jl8913TS No edit summary
- 19:3319:33, 9 March 2016 diff hist +359 Rep:Mod:jl8913TS No edit summary
- 19:2619:26, 9 March 2016 diff hist +765 Rep:Mod:jl8913TS No edit summary
- 19:1619:16, 9 March 2016 diff hist +136 Rep:Mod:jl8913TS →B3LYP/6-31G Optimisation
- 19:0919:09, 9 March 2016 diff hist +55 Rep:Mod:jl8913TS →HF/3-21G and B3LYP/6-31G Comparisons
- 19:0419:04, 9 March 2016 diff hist +2 Rep:Mod:jl8913TS →HF/3-21G and B3LYP/6-31G Comparisons
- 19:0319:03, 9 March 2016 diff hist +306 Rep:Mod:jl8913TS No edit summary
- 18:5318:53, 9 March 2016 diff hist +47 N File:JLanti2label.png Jason Li Transition State anti 2 atoms labelled current
- 18:5218:52, 9 March 2016 diff hist +49 N File:JLguache3label.png Jason Li Transition State gauche 3 atoms labelled current
- 18:4418:44, 9 March 2016 diff hist 0 File:JLB3LYPanti2.mol Jl8913 uploaded a new version of File:JLB3LYPanti2.mol current
- 18:4218:42, 9 March 2016 diff hist −1 Rep:Mod:jl8913TS →B3LYP/6-31G Optimisation
- 18:4218:42, 9 March 2016 diff hist +30 N File:JLB3LYPanti2.mol Jason Li transition state jmol
- 18:3818:38, 9 March 2016 diff hist 0 File:JLanti2 B3LYP.mol Jl8913 uploaded a new version of File:JLanti2 B3LYP.mol current
- 18:3718:37, 9 March 2016 diff hist +4 Rep:Mod:jl8913TS →B3LYP/6-31G Optimisation
- 18:3718:37, 9 March 2016 diff hist −5 Rep:Mod:jl8913TS No edit summary
- 18:3618:36, 9 March 2016 diff hist −4 Rep:Mod:jl8913TS No edit summary
- 18:3418:34, 9 March 2016 diff hist +76 Rep:Mod:jl8913TS →Optimisation of 1,5-Hexadiene Conformers
- 18:3018:30, 9 March 2016 diff hist +477 Rep:Mod:jl8913TS No edit summary
- 18:2418:24, 9 March 2016 diff hist −14 Rep:Mod:jl8913TS →Optimisation of 1,5-Hexadiene Conformers
- 18:2318:23, 9 March 2016 diff hist +409 Rep:Mod:jl8913TS No edit summary
- 18:2118:21, 9 March 2016 diff hist +43 N File:JLanti2 B3LYP.mol Jason Li Transition State anti 2 B3LYP.Jmol