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User contributions for Wx610

Results for Wx610 talk block log uploads logs

A user with 659 edits. Account created on 8 October 2012.

17:2417:24, 30 October 2012 diff hist 0 N File:WENMIN CHAIR TS GUESS OPT C NEW FIXED22.mol No edit summary current
17:1017:10, 30 October 2012 diff hist 0 Rep:Mod:WMX2012molecule3 →The Diels Alder Cycloaddition
17:0917:09, 30 October 2012 diff hist 0 Rep:Mod:WMX2012molecule3 →Chair TS reoptimization at higher level
17:0917:09, 30 October 2012 diff hist −2 Rep:Mod:WMX2012molecule3 →Boat TS reoptimization at higher level
17:0917:09, 30 October 2012 diff hist −4 Rep:Mod:WMX2012molecule3 →Chair TS IRC
17:0717:07, 30 October 2012 diff hist +1 Rep:Mod:WMX2012molecule3 →Molecule
17:0717:07, 30 October 2012 diff hist −1 Rep:Mod:WMX2012molecule3 →Boat TS optimization using the QST2 method
17:0717:07, 30 October 2012 diff hist −1 Rep:Mod:WMX2012molecule3 →Guess TS optimization using the derivative coordinate method
17:0717:07, 30 October 2012 diff hist −1 Rep:Mod:WMX2012molecule3 →Guess TS optimization using the frozen coordinate method
17:0617:06, 30 October 2012 diff hist −1 Rep:Mod:WMX2012molecule3 →Guess TS optimization and frequency
17:0617:06, 30 October 2012 diff hist −1 Rep:Mod:WMX2012molecule3 →Allyl fragment optimization
17:0517:05, 30 October 2012 diff hist −1 Rep:Mod:WMX2012molecule3 →Reoptimization of "anti2" conformation of 1,5-hexadiene
17:0517:05, 30 October 2012 diff hist 0 Rep:Mod:WMX2012molecule3 →Lowest energy conformation
17:0517:05, 30 October 2012 diff hist 0 Rep:Mod:WMX2012molecule3 →1,5-hexadiene with an "gauche" linkage
17:0417:04, 30 October 2012 diff hist −1 Rep:Mod:WMX2012molecule3 →1,5-hexadiene with an "anti" linkage
17:0417:04, 30 October 2012 diff hist +1 Rep:Mod:WMX2012molecule3 →Molecule
17:0417:04, 30 October 2012 diff hist −1 Rep:Mod:WMX2012molecule3 →1,5-hexadiene with an "anti" linkage
17:0317:03, 30 October 2012 diff hist +856 Rep:Mod:WMX2012molecule3 →Cis-butadiene
17:0117:01, 30 October 2012 diff hist 0 N File:WENMIN 1 CISBUTADIENE LUMO2.PNG No edit summary current
17:0117:01, 30 October 2012 diff hist 0 N File:WENMIN 1 CISBUTADIENE HOMO2.PNG No edit summary current
17:0117:01, 30 October 2012 diff hist 0 N File:WENMIN 1 CISBUTADIENE SUMMARY.PNG No edit summary current
17:0117:01, 30 October 2012 diff hist 0 N File:WENMIN 1 CISBUTADIENE OPT SEMIPIRICAL AM1.LOG No edit summary current
17:0117:01, 30 October 2012 diff hist 0 N File:WENMIN 1 CISBUTADIENE OPT SEMIPIRICAL AM1.mol No edit summary current
16:4916:49, 30 October 2012 diff hist +36 Rep:Mod:WMX2012molecule3 →Results Table
16:4216:42, 30 October 2012 diff hist +256 Rep:Mod:WMX2012molecule3 →The Diels Alder Cycloaddition
14:2314:23, 30 October 2012 diff hist +592 Rep:Mod:WMX2012molecule3 →Comparison with the Appendix 1
14:0514:05, 30 October 2012 diff hist 0 N File:WENMIN 15 HEXADIENE GAUCHE 3 MOLECULE.PNG No edit summary current
13:4713:47, 30 October 2012 diff hist +4 Rep:Mod:WMX2012molecule3 →1,5-hexadiene with an "gauche" linkage
13:4113:41, 30 October 2012 diff hist +429 Rep:Mod:WMX2012molecule3 →Chair TS IRC

22:2922:29, 29 October 2012 diff hist +595 Rep:Mod:WMX2012molecule3 →Chair TS IRC
22:2022:20, 29 October 2012 diff hist +464 Rep:Mod:WMX2012molecule3 →Chair TS IRC
22:1722:17, 29 October 2012 diff hist 0 N File:WENMIN CHAIR TS IRC F3 FROM D ONCE.LOG No edit summary current
22:1722:17, 29 October 2012 diff hist 0 N File:WENMIN CHAIR TS IRC F2 FROM D ALWAYS.LOG No edit summary current
22:1722:17, 29 October 2012 diff hist 0 N File:WENMIN CHAIR TS IRC F1 FROM D OPT.LOG No edit summary current
22:1722:17, 29 October 2012 diff hist 0 N File:WENMIN CHAIR TS IRC F FROM D ALWAYS.LOG No edit summary current
22:1722:17, 29 October 2012 diff hist 0 N File:WENMIN F3 CHAIR TS IRC FROM D EVERYSTEP.PNG No edit summary current
22:1722:17, 29 October 2012 diff hist 0 N File:WENMIN F2 CHAIR TS IRC FROM D 100.PNG No edit summary current
22:1722:17, 29 October 2012 diff hist 0 N File:WENMIN F1 CHAIR TS IRC OPT.PNG No edit summary current
22:1722:17, 29 October 2012 diff hist 0 N File:WENMIN F CHAIR TS IRC FROM D.PNG No edit summary current
21:3821:38, 29 October 2012 diff hist 0 Rep:Mod:WMX2012molecule3 →Results Table
21:3021:30, 29 October 2012 diff hist +36 Rep:Mod:WMX2012molecule3 →Results Table
21:0921:09, 29 October 2012 diff hist +40 Rep:Mod:WMX2012molecule3 →Results Table
21:0621:06, 29 October 2012 diff hist +60 Rep:Mod:WMX2012molecule3 →Results Table
17:4017:40, 29 October 2012 diff hist 0 Rep:Mod:WMX2012molecule3 →Energy list
17:3517:35, 29 October 2012 diff hist +572 Rep:Mod:WMX2012molecule3 →Output information
17:3117:31, 29 October 2012 diff hist +1 Rep:Mod:WMX2012molecule3 →Boat TS IRC
17:2417:24, 29 October 2012 diff hist +288 Rep:Mod:WMX2012molecule3 →Output information
17:2317:23, 29 October 2012 diff hist −172 Rep:Mod:WMX2012molecule3 →Results Table
17:1717:17, 29 October 2012 diff hist +2,444 Rep:Mod:WMX2012molecule3 →Boat & Chair TS reoptimization at higher level
17:1017:10, 29 October 2012 diff hist +198 Rep:Mod:WMX2012molecule3 →Molecule

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