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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.

18:4918:49, 30 October 2012 diff hist 0 N File:PRODUCT OPTFRE.LOG No edit summary current
18:4818:48, 30 October 2012 diff hist +523 Xiaojie1028 →Reactant-QST2 calculation
18:4618:46, 30 October 2012 diff hist 0 N File:REACTANT BOAT OPTFRE.LOG No edit summary current
18:4418:44, 30 October 2012 diff hist +590 Xiaojie1028 →Reoptimisation frozen coordinate method
18:4318:43, 30 October 2012 diff hist 0 N File:GUESS TS FROZEN OPT2ND.LOG No edit summary current
18:4118:41, 30 October 2012 diff hist 0 N File:2ndfro chair xiaojie.PNG No edit summary current
18:3718:37, 30 October 2012 diff hist +598 Xiaojie1028 →Optimisation of ts by using the frozen coordinate method
18:3618:36, 30 October 2012 diff hist 0 N File:GUESS TS FROZEN OPT.LOG No edit summary current
18:3418:34, 30 October 2012 diff hist 0 N File:Fro chair xiaojie.PNG No edit summary current
18:3118:31, 30 October 2012 diff hist +521 Xiaojie1028 →Optimisation of ts in 3-21G
18:3118:31, 30 October 2012 diff hist 0 N File:GUESS TS OPT.LOG No edit summary current
18:2918:29, 30 October 2012 diff hist +572 Xiaojie1028 →allyl fragment
18:2818:28, 30 October 2012 diff hist 0 N File:ALLYLCHAIR OPT.LOG No edit summary current
18:2618:26, 30 October 2012 diff hist 0 N File:Allyl summary.PNG No edit summary current
18:2218:22, 30 October 2012 diff hist +474 Xiaojie1028 →Boat TS
18:2218:22, 30 October 2012 diff hist 0 N File:PRODUCT OPTFRE 631G FRE.LOG No edit summary current
18:2118:21, 30 October 2012 diff hist 0 N File:Boat ir.PNG No edit summary
18:1818:18, 30 October 2012 diff hist −1 Xiaojie1028 →Frequency analysis of B3LYP/6-31G*optimised transition state
18:1818:18, 30 October 2012 diff hist +494 Xiaojie1028 →Chair TS
18:1718:17, 30 October 2012 diff hist 0 N File:GUESS TS OPT 631G FRE.LOG No edit summary current
18:1518:15, 30 October 2012 diff hist 0 N File:IR chair tsxiaojie.PNG No edit summary current
18:1418:14, 30 October 2012 diff hist 0 N File:IR chair ts.PNG No edit summary current
18:0818:08, 30 October 2012 diff hist +103 Xiaojie1028 No edit summary
18:0518:05, 30 October 2012 diff hist +538 Xiaojie1028 →B3LYP/6-31G* optimised Chair transition state
18:0418:04, 30 October 2012 diff hist 0 N File:GUESS TS OPT 631G.LOG No edit summary current
18:0218:02, 30 October 2012 diff hist −1 Xiaojie1028 →B3LYP/6-31G* optimised Boat transition state
18:0018:00, 30 October 2012 diff hist +843 Xiaojie1028 →Optimisation of Chair and Boat by using B3LYP/6-31G*
18:0018:00, 30 October 2012 diff hist 0 N File:PRODUCT OPTFRE 631G.LOG No edit summary current
17:5717:57, 30 October 2012 diff hist 0 N File:Boat summary.PNG No edit summary current
17:5617:56, 30 October 2012 diff hist 0 N File:PRODUCT OPTFRE 631G.mol No edit summary current
17:5317:53, 30 October 2012 diff hist 0 N File:Chair 631G opt summary.PNG No edit summary current
17:5017:50, 30 October 2012 diff hist +233 Xiaojie1028 →Optimisation of Chair and Boat by using B3LYP/6-31G*
17:5017:50, 30 October 2012 diff hist 0 N File:GUESS TS OPT 631G.mol No edit summary current
17:4117:41, 30 October 2012 diff hist +243 Xiaojie1028 →IRC
17:4117:41, 30 October 2012 diff hist 0 N File:IRC pathway.PNG No edit summary current
17:3917:39, 30 October 2012 diff hist 0 N File:IRC MINIUM SUMMARY.PNG No edit summary current
17:3717:37, 30 October 2012 diff hist 0 N File:IRC2 OPT.PNG No edit summary current
17:2417:24, 30 October 2012 diff hist 0 N File:Irc 1 summary.PNG No edit summary current
17:2217:22, 30 October 2012 diff hist 0 N File:Irc 1 xiaojie.PNG No edit summary current
17:2017:20, 30 October 2012 diff hist 0 N File:Chair irc.gif No edit summary current

19:1619:16, 29 October 2012 diff hist +25 Xiaojie1028 →Frequency Analysis of Anti2 1,5-hexadiene
19:1319:13, 29 October 2012 diff hist +490 Xiaojie1028 →B3LYP/6-31G* Optimised Anti2 1,5-hexadiene
19:1219:12, 29 October 2012 diff hist 0 N File:HEX ANTI2 REOPT.LOG No edit summary current
19:0919:09, 29 October 2012 diff hist +489 Xiaojie1028 →HF/3-21G Optimised Anti2 1,5-hexadiene
19:0819:08, 29 October 2012 diff hist 0 N File:HEX ANTI2 OPT.LOG No edit summary current
19:0519:05, 29 October 2012 diff hist +483 Xiaojie1028 →Gauche 3
19:0519:05, 29 October 2012 diff hist 0 N File:HEX GAUCHE.LOG No edit summary current
19:0219:02, 29 October 2012 diff hist +2 Xiaojie1028 →HF/3-21G Optimised Anti 1,5-hexadiene
19:0119:01, 29 October 2012 diff hist +489 Xiaojie1028 →HF/3-21G Optimised Gauche-1 1,5-hexadiene
19:0119:01, 29 October 2012 diff hist 0 N File:HEX GAU1 OPT.LOG No edit summary current

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