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User contributions for Jrc10

Results for Jrc10 talk block log uploads logs

A user with 812 edits. Account created on 7 October 2010.

14:1914:19, 31 January 2013 diff hist +2,788 Rep:Mod:theoreticalreality →Optimization of Chair

15:0615:06, 30 January 2013 diff hist −4 Rep:Mod:theoreticalreality →Comparison of Hessian and Frozen Methods
15:0515:05, 30 January 2013 diff hist +796 Rep:Mod:theoreticalreality →Frozen Coordinate Optimization
14:5514:55, 30 January 2013 diff hist 0 Rep:Mod:theoreticalreality →Hessian Optimization
14:5414:54, 30 January 2013 diff hist −2 Rep:Mod:theoreticalreality →Frozen Coordinate Optimization
14:5314:53, 30 January 2013 diff hist +48 N File:CRON Chair ts frozen 2.gif GIF of frozen resolved transition state of chair current
14:5014:50, 30 January 2013 diff hist −2 Rep:Mod:theoreticalreality →Frozen Coordinate Optimization
14:4914:49, 30 January 2013 diff hist +49 N File:Chair ts frozen 2.mol Jmol of chair transition state from frozen method current
14:4814:48, 30 January 2013 diff hist +1,941 Rep:Mod:theoreticalreality →Hessian Optimization
11:1611:16, 30 January 2013 diff hist 0 File:CRON Chair ts Berny imag.gif uploaded a new version of "File:CRON Chair ts Berny imag.gif": GIF of Cope rearrangement of Chair white background current
11:0711:07, 30 January 2013 diff hist +46 Rep:Mod:theoreticalreality →Hessian Optimization
11:0611:06, 30 January 2013 diff hist +36 N File:CRON Chair ts Berny imag.gif GIF of cope rearrangement of a chair
11:0511:05, 30 January 2013 diff hist +147 Rep:Mod:theoreticalreality →Hessian Optimization
10:5710:57, 30 January 2013 diff hist +370 Rep:Mod:theoreticalreality →Hessian Optimization
10:5410:54, 30 January 2013 diff hist +1,107 Rep:Mod:theoreticalreality →Optimization of Chair
10:5410:54, 30 January 2013 diff hist +31 N File:CRON Chair ts Berny.mol Jmol of hessian optimized chair current

17:2317:23, 29 January 2013 diff hist +356 Rep:Mod:theoreticalreality →Optimization of Chair
17:2117:21, 29 January 2013 diff hist +23 N File:CRON Allyl Optimization.mol Jmol of optimized Allyl current
17:1617:16, 29 January 2013 diff hist +281 Rep:Mod:theoreticalreality →Optimization of Chair
17:1217:12, 29 January 2013 diff hist −5 Rep:Mod:theoreticalreality →Optimization of Chair
15:4815:48, 29 January 2013 diff hist +535 Rep:Mod:theoreticalreality →Optimization of Chair
15:3415:34, 29 January 2013 diff hist +408 Rep:Mod:theoreticalreality →Optimizing a Chair and Boat
15:2415:24, 29 January 2013 diff hist +482 Rep:Mod:theoreticalreality →Optimizing a Chair and Boat
15:1515:15, 29 January 2013 diff hist +269 Rep:Mod:theoreticalreality →Frequency Analysis
15:0615:06, 29 January 2013 diff hist +184 Rep:Mod:theoreticalreality →Frequency Analysis
15:0115:01, 29 January 2013 diff hist −23 Rep:Mod:theoreticalreality →Frequency Analysis
14:5814:58, 29 January 2013 diff hist +711 Rep:Mod:theoreticalreality →Frequency Analysis
14:3514:35, 29 January 2013 diff hist +116 Rep:Mod:theoreticalreality →Frequency Analysis
11:4311:43, 29 January 2013 diff hist +717 Rep:Mod:theoreticalreality →Optimization with 6-31G
11:3611:36, 29 January 2013 diff hist +453 Rep:Mod:theoreticalreality →Optimization with 6-31G
11:3211:32, 29 January 2013 diff hist +1,313 Rep:Mod:theoreticalreality →Optimization with 6-31G
10:5510:55, 29 January 2013 diff hist +97 Rep:Mod:theoreticalreality →Looking for lower energy conformers
10:5410:54, 29 January 2013 diff hist +575 Rep:Mod:theoreticalreality →Optimization with 6-31G
10:5310:53, 29 January 2013 diff hist +3 Rep:Mod:theoreticalreality →Antiperiplanar Conformer
10:5310:53, 29 January 2013 diff hist +743 Rep:Mod:theoreticalreality →Looking for lower energy conformers
10:3310:33, 29 January 2013 diff hist −12 Rep:Mod:theoreticalreality →Looking for lower energy conformers
10:3210:32, 29 January 2013 diff hist +585 Rep:Mod:theoreticalreality →Looking for lower energy conformers
10:1110:11, 29 January 2013 diff hist +260 Rep:Mod:theoreticalreality →Looking for lower energy conformers
09:4609:46, 29 January 2013 diff hist −2 Rep:Mod:theoreticalreality →Looking for lower energy conformers
09:4309:43, 29 January 2013 diff hist +54 Rep:Mod:theoreticalreality →Gauche Conformer

17:4117:41, 28 January 2013 diff hist +259 Rep:Mod:theoreticalreality →Gauche Conformer
17:2517:25, 28 January 2013 diff hist −1 Rep:Mod:theoreticalreality →Gauche Conformer
17:2517:25, 28 January 2013 diff hist +34 N File:CRON 15 hexadiene gau optimization.mol Jmol of hexadiene gauche conformer current
17:2217:22, 28 January 2013 diff hist −1 Rep:Mod:theoreticalreality →Antiperiplanar Conformer
17:1917:19, 28 January 2013 diff hist +2 Rep:Mod:theoreticalreality →Antiperiplanar Conformer
17:1517:15, 28 January 2013 diff hist −72 Rep:Mod:theoreticalreality →Antiperiplanar Conformer
17:1417:14, 28 January 2013 diff hist −73 Rep:Mod:theoreticalreality →Gauche Conformer
17:0517:05, 28 January 2013 diff hist +2,710 Rep:Mod:theoreticalreality →Optimization of Products and Reactants
16:5316:53, 28 January 2013 diff hist +19 Rep:Mod:theoreticalreality →Optimization of Products and Reactants
16:5216:52, 28 January 2013 diff hist +31 N File:CRON 15 HEXADIENE APP1 OPTIMIZATION.mol Jmol of optimized hexadiene app current

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