User contributions for Xt810

2 November 2012

• 01:0101:01, 2 November 2012 diff hist −1 Rep:Xiaojie102818 →IRC Analysis of Chair Transition state
• 01:0101:01, 2 November 2012 diff hist +464 Rep:Xiaojie102818 →IRC Analysis of Chair Transition state
• 00:4300:43, 2 November 2012 diff hist +85 Rep:Xiaojie102818 →Comparison Table
• 00:4100:41, 2 November 2012 diff hist −2 Rep:Xiaojie102818 →Optimisation of chair-ts by using the frozen coordinate method
• 00:4000:40, 2 November 2012 diff hist −10 Rep:Xiaojie102818 →Optimisation of chair-ts by using the frozen coordinate method
• 00:3500:35, 2 November 2012 diff hist +3 Rep:Xiaojie102818 →Optimisation of chair-ts by using the frozen coordinate method
• 00:3400:34, 2 November 2012 diff hist +96 Rep:Xiaojie102818 →Optimisation of chair-ts by using the frozen coordinate method
• 00:3100:31, 2 November 2012 diff hist −12 Rep:Xiaojie102818 →Optimisation of chair-ts in 3-21G
• 00:3000:30, 2 November 2012 diff hist +6 Rep:Xiaojie102818 →Optimisation of ts by using the frozen coordinate method
• 00:2800:28, 2 November 2012 diff hist +5 Rep:Xiaojie102818 →Optimisation of chair-ts in 3-21G
• 00:2700:27, 2 November 2012 diff hist +6 Rep:Xiaojie102818 →Optimisation of ts in 3-21G

1 November 2012

• 23:4723:47, 1 November 2012 diff hist −7 Rep:Xiaojie102818 →Frequency Analysis of B3LYP/6-31G* Optimised (Anti2) 1,5-hexadiene
• 23:4523:45, 1 November 2012 diff hist +30 Rep:Xiaojie102818 →B3LYP/6-31G* Optimised (Anti2) 1,5-hexadiene
• 23:1523:15, 1 November 2012 diff hist +82 Rep:Xiaojie102818 →B3LYP/6-31G* Optimised (Anti2) 1,5-hexadiene
• 23:1023:10, 1 November 2012 diff hist +88 Rep:Xiaojie102818 →lowest energy conformation-(gauche3)
• 23:0323:03, 1 November 2012 diff hist −3 Rep:Xiaojie102818 →HF/3-21G Optimised (Gauche1) 1,5-hexadiene
• 23:0023:00, 1 November 2012 diff hist +757 Rep:Xiaojie102818 →HF/3-21G Optimised (Gauche1) 1,5-hexadiene
• 16:2216:22, 1 November 2012 diff hist −27 Rep:Xiaojie102818 →Geometry Information
• 16:2116:21, 1 November 2012 diff hist +30 Rep:Xiaojie102818 →Geometry Information
• 16:1916:19, 1 November 2012 diff hist +52 Rep:Xiaojie102818 →Geometry Information
• 16:1616:16, 1 November 2012 diff hist +6 Rep:Xiaojie102818 →Geometry Information
• 16:1616:16, 1 November 2012 diff hist +128 Rep:Xiaojie102818 →Geometry Information
• 16:1116:11, 1 November 2012 diff hist 0 N File:LUMO ETHYLENE.PNG No edit summary current
• 16:0816:08, 1 November 2012 diff hist +236 Rep:Xiaojie102818 →ENDO transition state
• 16:0616:06, 1 November 2012 diff hist 0 N File:HOMO ENDO.PNG No edit summary current
• 16:0316:03, 1 November 2012 diff hist 0 N File:LUMO ENDO.PNG No edit summary current
• 15:5115:51, 1 November 2012 diff hist +576 Rep:Xiaojie102818 →ENDO transition state
• 15:5015:50, 1 November 2012 diff hist 0 File:ENDO TS OPT.LOG uploaded a new version of "File:ENDO TS OPT.LOG" current
• 15:4815:48, 1 November 2012 diff hist 0 N File:Summary endo.PNG No edit summary current
• 15:4815:48, 1 November 2012 diff hist +174 Rep:Xiaojie102818 →ENDO transition state
• 15:4715:47, 1 November 2012 diff hist 0 N File:ENDO TS OPT.mol No edit summary current
• 15:4515:45, 1 November 2012 diff hist +60 Rep:Xiaojie102818 No edit summary
• 15:4315:43, 1 November 2012 diff hist +99 Rep:Xiaojie102818 →Geometry Information
• 15:2815:28, 1 November 2012 diff hist 0 Rep:Xiaojie102818 →Molecule orbital
• 15:2815:28, 1 November 2012 diff hist 0 Rep:Xiaojie102818 →Molecule orbital
• 15:2715:27, 1 November 2012 diff hist +211 Rep:Xiaojie102818 →Exo-
• 15:2615:26, 1 November 2012 diff hist 0 N File:LUMO EXO.PNG No edit summary current
• 15:2215:22, 1 November 2012 diff hist 0 N File:HOMO EXO.PNG No edit summary current
• 15:1915:19, 1 November 2012 diff hist 0 Rep:Xiaojie102818 →Exo-
• 15:1915:19, 1 November 2012 diff hist +249 Rep:Xiaojie102818 →Exo-
• 15:1915:19, 1 November 2012 diff hist 0 N File:EXO 3.LOG No edit summary current
• 15:1615:16, 1 November 2012 diff hist 0 N File:Freexo.PNG No edit summary current
• 15:1315:13, 1 November 2012 diff hist +458 Rep:Xiaojie102818 →Exo-
• 15:1115:11, 1 November 2012 diff hist 0 N File:Exo 3opt summary.PNG No edit summary current
• 15:0915:09, 1 November 2012 diff hist +209 Rep:Xiaojie102818 →EXO- AND ENDO- Selectivity
• 15:0915:09, 1 November 2012 diff hist 0 N File:EXO 3.mol No edit summary current
• 14:1614:16, 1 November 2012 diff hist +3 Rep:Xiaojie102818 →Geometry Information
• 14:1614:16, 1 November 2012 diff hist +23 Rep:Xiaojie102818 →Geometry Information
• 14:1514:15, 1 November 2012 diff hist 0 N File:Moxiaojie.bmp No edit summary current
• 14:1414:14, 1 November 2012 diff hist 0 N File:Xiaojie.PNG No edit summary current