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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.

18:5518:55, 29 October 2012 diff hist +486 Xiaojie1028 →Molecule1,5-hexadiene
18:5418:54, 29 October 2012 diff hist 0 N File:HEX ANTI OPT.LOG No edit summary current
15:0015:00, 29 October 2012 diff hist −1 Xiaojie1028 →HF/3-21G Optimised Anti 1,5-hexadiene
15:0015:00, 29 October 2012 diff hist 0 N File:HEX ANTI OPT.mol No edit summary current
14:5914:59, 29 October 2012 diff hist 0 Xiaojie1028 →HF/3-21G Optimised Gauche-1 1,5-hexadiene
14:5914:59, 29 October 2012 diff hist 0 N File:HEX GAU1 OPT.mol No edit summary current
14:5814:58, 29 October 2012 diff hist −7 Xiaojie1028 →Gauche 3
14:5814:58, 29 October 2012 diff hist 0 N File:HEX GAUCHE3.mol No edit summary current
14:5614:56, 29 October 2012 diff hist 0 Xiaojie1028 →HF/3-21G Optimised Anti2 1,5-hexadiene
14:5614:56, 29 October 2012 diff hist 0 N File:HEX ANTI2 OPT.mol No edit summary current
14:5514:55, 29 October 2012 diff hist −2 Xiaojie1028 →B3LYP/6-31G* Optimised Anti2 1,5-hexadiene
14:5514:55, 29 October 2012 diff hist 0 N File:HEX ANTI2 REOPT.mol No edit summary current
14:5314:53, 29 October 2012 diff hist 0 Xiaojie1028 →allyl fragment
14:5314:53, 29 October 2012 diff hist 0 N File:ALLYLCHAIR OPT.mol No edit summary current
14:5214:52, 29 October 2012 diff hist 0 Xiaojie1028 →Optimisation of ts in 3-21G
14:5214:52, 29 October 2012 diff hist 0 N File:GUESS TS OPT.mol No edit summary current
14:4214:42, 29 October 2012 diff hist −1 Xiaojie1028 →Optimisation of ts in 3-21G
14:4114:41, 29 October 2012 diff hist −1 Xiaojie1028 →Optimisation of ts by using the frozen coordinate method
14:4014:40, 29 October 2012 diff hist 0 N File:GUESS TS FROZEN OPT.mol No edit summary current
14:3814:38, 29 October 2012 diff hist −1 Xiaojie1028 →Reoptimisation frozen coordinate method
14:3814:38, 29 October 2012 diff hist 0 N File:GUESS TS FROZEN reOPT.mol No edit summary current
14:3514:35, 29 October 2012 diff hist −2 Xiaojie1028 →Reactant-QST2 calculation
14:3514:35, 29 October 2012 diff hist 0 N File:Reactant boat optfrequ.mol No edit summary current
14:3314:33, 29 October 2012 diff hist +1 Xiaojie1028 →product-QST2 calculation
14:3314:33, 29 October 2012 diff hist 0 N File:Product optfrequ.mol No edit summary current

20:4420:44, 28 October 2012 diff hist +75 Xiaojie1028 →product-QST2 calculation
20:3620:36, 28 October 2012 diff hist +543 Xiaojie1028 →Boat transition state
20:3620:36, 28 October 2012 diff hist 0 N File:Product xiaojie.PNG No edit summary current
20:3020:30, 28 October 2012 diff hist 0 N File:Product optfre.mol No edit summary current
20:2520:25, 28 October 2012 diff hist 0 N File:Reactant freopt.PNG No edit summary current
20:2020:20, 28 October 2012 diff hist 0 N File:-reactant boat optfre-.mol No edit summary current
20:0420:04, 28 October 2012 diff hist +30 Xiaojie1028 No edit summary
20:0020:00, 28 October 2012 diff hist +238 Xiaojie1028 →"Chair" and "Boat" Transition Structures
19:5719:57, 28 October 2012 diff hist 0 N File:-guess ts fro opt2nd-.mol No edit summary current
19:4019:40, 28 October 2012 diff hist +302 Xiaojie1028 →OPtimisation of ts in 3-21G
19:3719:37, 28 October 2012 diff hist 0 N File:Guess ts frozen opt.mol No edit summary current
19:3419:34, 28 October 2012 diff hist 0 N File:Guess ts opt.PNG No edit summary current
19:3319:33, 28 October 2012 diff hist +245 Xiaojie1028 →"Chair" and "Boat" Transition Structures
19:3219:32, 28 October 2012 diff hist 0 N File:Guess ts opt.mol No edit summary current
19:2319:23, 28 October 2012 diff hist +296 Xiaojie1028 No edit summary
19:2319:23, 28 October 2012 diff hist 0 N File:Allylchair opt.mol No edit summary current
19:1419:14, 28 October 2012 diff hist +1 Xiaojie1028 →Frequency Analysis of Anti2 1,5-hexadiene
19:1419:14, 28 October 2012 diff hist +386 Xiaojie1028 →Frequency Analysis of Anti2 1,5-hexadiene
19:1319:13, 28 October 2012 diff hist 0 N File:-HEX ANTI2 631G FRE- view file.txt No edit summary current
19:0319:03, 28 October 2012 diff hist +11 Xiaojie1028 →lowest energy conformation-Gauche3
19:0219:02, 28 October 2012 diff hist +7 Xiaojie1028 →lowest energy conformation-Gauche3
19:0119:01, 28 October 2012 diff hist 0 N File:Pointgropu gauch3 Xiaojie.PNG No edit summary current
19:0119:01, 28 October 2012 diff hist 0 N File:Gauche3 summary Xiaojie.PNG No edit summary current
19:0019:00, 28 October 2012 diff hist 0 N File:Hex gauche3xiaojie.mol No edit summary current
18:5618:56, 28 October 2012 diff hist +68 Xiaojie1028 →lowest energy conformation-Gauche3

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