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User contributions for Xt810

Results for Xt810 talk block log uploads logs

A user with 790 edits. Account created on 8 October 2012.

11:0711:07, 31 October 2012 diff hist +17 Rep:Xiaojie102818 →B3LYP/6-31G* optimised Chair transition state
11:0711:07, 31 October 2012 diff hist 0 N File:CHAIR TS GUESS XIAOJIE.LOG No edit summary current
11:0411:04, 31 October 2012 diff hist +9 Rep:Xiaojie102818 →B3LYP/6-31G* optimised Chair transition state
10:5810:58, 31 October 2012 diff hist −60 Rep:Xiaojie102818 →Optimisation of ts in 3-21G
10:4910:49, 31 October 2012 diff hist 0 Rep:Xiaojie102818 →Result Table
10:4810:48, 31 October 2012 diff hist +52 Rep:Xiaojie102818 →Optimisation of ts in 3-21G
10:4810:48, 31 October 2012 diff hist 0 N File:CHAIR TS GUESS XIAOJIE 631G.LOG No edit summary current
10:4710:47, 31 October 2012 diff hist 0 N File:CHAIR TS GUESS XIAOJIE 631g summary.PNG No edit summary current
10:4610:46, 31 October 2012 diff hist 0 N File:CHAIR TS GUESS XIAOJIE 631g.mol No edit summary current
04:2004:20, 31 October 2012 diff hist +2 Rep:Xiaojie102818 →Chair transition state-guess structure
04:1904:19, 31 October 2012 diff hist −10 Rep:Xiaojie102818 →Result Table
04:0704:07, 31 October 2012 diff hist +181 Rep:Xiaojie102818 →Optimisation of Chair and Boat by using B3LYP/6-31G*
04:0104:01, 31 October 2012 diff hist +396 Rep:Xiaojie102818 →IRC Analysis of Chair Transition state
03:4703:47, 31 October 2012 diff hist +174 Rep:Xiaojie102818 →Boat transition state
03:3403:34, 31 October 2012 diff hist +1,213 Rep:Xiaojie102818 →"Chair" and "Boat" Transition Structures
01:1601:16, 31 October 2012 diff hist +293 Rep:Xiaojie102818 →Frequency Analysis of B3LYP/6-31G* Optimised (Anti2) 1,5-hexadiene
01:0101:01, 31 October 2012 diff hist +71 Rep:Xiaojie102818 →B3LYP/6-31G* Optimised (Anti2) 1,5-hexadiene
00:5000:50, 31 October 2012 diff hist 0 Rep:Xiaojie102818 →HF/3-21G Optimised (Anti2) 1,5-hexadiene
00:5000:50, 31 October 2012 diff hist −1 Rep:Xiaojie102818 →lowest energy conformation-(gauche-3)
00:4900:49, 31 October 2012 diff hist −1 Rep:Xiaojie102818 →HF/3-21G Optimised (Gauche-1) 1,5-hexadiene
00:4800:48, 31 October 2012 diff hist 0 Rep:Xiaojie102818 →HF/3-21G Optimised (Anti-1) 1,5-hexadiene
00:4700:47, 31 October 2012 diff hist +223 Rep:Xiaojie102818 →HF/3-21G Optimised (Anti2) 1,5-hexadiene
00:4200:42, 31 October 2012 diff hist −2 Rep:Xiaojie102818 →lowest energy conformation-(gauche-3)
00:4000:40, 31 October 2012 diff hist +386 Rep:Xiaojie102818 →lowest energy conformation-(gauche-3)

23:1323:13, 30 October 2012 diff hist −8 Rep:Xiaojie102818 →lowest energy conformation
23:0223:02, 30 October 2012 diff hist 0 Rep:Xiaojie102818 →HF/3-21G Optimised (Gauche-1) 1,5-hexadiene
23:0123:01, 30 October 2012 diff hist +167 Rep:Xiaojie102818 →HF/3-21G Optimised (Gauche-1) 1,5-hexadiene
22:5222:52, 30 October 2012 diff hist +260 Rep:Xiaojie102818 →HF/3-21G Optimised (Gauche-1) 1,5-hexadiene
22:4722:47, 30 October 2012 diff hist +13 Rep:Xiaojie102818 →HF/3-21G Optimised (Anti-1) 1,5-hexadiene
22:4522:45, 30 October 2012 diff hist +17,207 N Rep:Xiaojie102818 Created page with "==Module 3== In this page, I will characterise transition structures on potential energy surfaces for the Cope rearrangement and Diels Alder cycloaddition reactions ==The Cope R..."
22:4322:43, 30 October 2012 diff hist +52 Xiaojie1028 →HF/3-21G Optimised (Anti-1) 1,5-hexadiene
22:3622:36, 30 October 2012 diff hist +7 Xiaojie1028 →HF/3-21G Optimised (Anti-1) 1,5-hexadiene
22:3522:35, 30 October 2012 diff hist +40 Xiaojie1028 →HF/3-21G Optimised (Anti-1) 1,5-hexadiene
22:3322:33, 30 October 2012 diff hist +161 Xiaojie1028 →HF/3-21G Optimised (Anti-1) 1,5-hexadiene
22:2822:28, 30 October 2012 diff hist −1 Xiaojie1028 →The Cope Rearrangement Tutorial
22:2822:28, 30 October 2012 diff hist +264 Xiaojie1028 →The Cope Rearrangement Tutorial
19:3319:33, 30 October 2012 diff hist 0 Xiaojie1028 →IRC Analysis of Chair Transition state
19:3319:33, 30 October 2012 diff hist +6 Xiaojie1028 →IRC Analysis of Chair Transition state
19:3119:31, 30 October 2012 diff hist +2,430 Xiaojie1028 →Result Table
19:2119:21, 30 October 2012 diff hist +373 Xiaojie1028 →Optimisation of ts in 3-21G
19:2019:20, 30 October 2012 diff hist −408 Xiaojie1028 →Frequency Analysis of HF 3-21G Optimised (Anti2) 1,5-hexadiene
19:1919:19, 30 October 2012 diff hist +9 Xiaojie1028 →Frequency Analysis of HF 3-21G Optimised (Anti2) 1,5-hexadiene
19:1919:19, 30 October 2012 diff hist +401 Xiaojie1028 →Frequency Analysis of B3LYP/6-31G* Optimised (Anti2) 1,5-hexadiene
19:1819:18, 30 October 2012 diff hist 0 N File:Chair.PNG No edit summary
19:1519:15, 30 October 2012 diff hist +361 Xiaojie1028 →Reactant-QST2 calculation
19:1319:13, 30 October 2012 diff hist 0 N File:Reactant.PNG No edit summary current
19:1119:11, 30 October 2012 diff hist +382 Xiaojie1028 →product-QST2 calculation
19:1119:11, 30 October 2012 diff hist 0 N File:Product frexiaojie.PNG No edit summary current
18:5318:53, 30 October 2012 diff hist +22 Xiaojie1028 No edit summary
18:5018:50, 30 October 2012 diff hist +524 Xiaojie1028 →product-QST2 calculation

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