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User contributions for Ft311

Results for Ft311 talk block log uploads logs

A user with 1,469 edits. Account created on 17 October 2011.

11:1011:10, 1 November 2013 diff hist −5 Rep:Mod:fred234 →1,5-hexadiene (anti)
11:1011:10, 1 November 2013 diff hist +131 Rep:Mod:fred234 →1,5-hexadiene (anti)
11:0711:07, 1 November 2013 diff hist 0 N File:Chair ts ally irc II.log No edit summary current
11:0711:07, 1 November 2013 diff hist 0 N File:QST optimised.log No edit summary current
11:0711:07, 1 November 2013 diff hist 0 N File:CHAIR TS ALLY FRAGMENTS OPTIMISATION hessian.log No edit summary current
11:0711:07, 1 November 2013 diff hist 0 N File:CHAIR TS ALLY FRAGMENTS OPTIMISATION REDUNDANT.log No edit summary current
11:0711:07, 1 November 2013 diff hist 0 N File:Chair ts ally fragments optimisation.log No edit summary current
11:0711:07, 1 November 2013 diff hist 0 N File:1,5-HEXADIENE OPTIMISATION ANTI2 B3LYP6-31GD.LOG No edit summary current
11:0711:07, 1 November 2013 diff hist 0 N File:1,5-hexadiene frequency anti2 B3LYP6-31Gd.log No edit summary current
11:0711:07, 1 November 2013 diff hist 0 N File:1,5-hexadiene optimisation gauche.log No edit summary current
11:0711:07, 1 November 2013 diff hist 0 N File:1,5-hexadiene optimisation anti1.log No edit summary current
11:0711:07, 1 November 2013 diff hist 0 N File:1,5-hexadiene optimisation anti2.log No edit summary current
10:5610:56, 1 November 2013 diff hist +229 Rep:Mod:fred234 →MO diagram
00:3700:37, 1 November 2013 diff hist +66 Rep:Mod:fred234 →1,5-hexadiene (gauche)
00:3500:35, 1 November 2013 diff hist −3 Rep:Mod:fred234 →Summary table
00:3400:34, 1 November 2013 diff hist +452 Rep:Mod:fred234 →Boat
00:3100:31, 1 November 2013 diff hist +455 Rep:Mod:fred234 →Chair
00:0700:07, 1 November 2013 diff hist −10 Rep:Mod:fred234 →Chair
00:0600:06, 1 November 2013 diff hist +1 Rep:Mod:fred234 →Chair

23:5523:55, 31 October 2013 diff hist +347 Rep:Mod:fred234 →Thermochemistry
23:4023:40, 31 October 2013 diff hist −60 Rep:Mod:fred234 →1,5-hexadiene (gauche)
21:0021:00, 31 October 2013 diff hist +578 Rep:Mod:fred234 →Physical Computational Chemistry
20:4720:47, 31 October 2013 diff hist −1 Rep:Mod:fred234 →Further comments
20:4520:45, 31 October 2013 diff hist 0 File:1,5-hexadiene optimisation anti2.PNG uploaded a new version of "File:1,5-hexadiene optimisation anti2.PNG" current
20:4120:41, 31 October 2013 diff hist +6 Rep:Mod:fred234 →Further comments
20:4120:41, 31 October 2013 diff hist −2 Rep:Mod:fred234 →Secondary orbital interactions
20:4020:40, 31 October 2013 diff hist 0 Rep:Mod:fred234 →Low frequencies
20:3920:39, 31 October 2013 diff hist +6 Rep:Mod:fred234 →Summary
20:3720:37, 31 October 2013 diff hist −100 Rep:Mod:fred234 →Chair
20:3720:37, 31 October 2013 diff hist +23 Rep:Mod:fred234 →Optimisation of the chair and boat transitions structures using the B3LYP/6-31G* level of theory
20:3620:36, 31 October 2013 diff hist +74 Rep:Mod:fred234 →Boat
20:3520:35, 31 October 2013 diff hist −2 Rep:Mod:fred234 →Boat
20:3420:34, 31 October 2013 diff hist −54 Rep:Mod:fred234 →Low frequencies
20:3220:32, 31 October 2013 diff hist +3 m Rep:Mod:fred234 →Summary table
20:3220:32, 31 October 2013 diff hist +925 Rep:Mod:fred234 →Boat
20:2220:22, 31 October 2013 diff hist +27 Rep:Mod:fred234 →Optimisation of the chair and boat transitions structures using the B3LYP/6-31G* level of theory
20:2120:21, 31 October 2013 diff hist −26 Rep:Mod:fred234 →Intrinsic reaction coordinate
20:1420:14, 31 October 2013 diff hist +27 Rep:Mod:fred234 →Optimisation of the chair and boat transitions structures using the B3LYP/6-31G* level of theory
20:1420:14, 31 October 2013 diff hist −1 Rep:Mod:fred234 →Intrinsic reaction coordinate
20:1320:13, 31 October 2013 diff hist +578 Rep:Mod:fred234 →Summary table
20:1020:10, 31 October 2013 diff hist −3 Rep:Mod:fred234 →Boat
20:0920:09, 31 October 2013 diff hist +394 Rep:Mod:fred234 →Boat
20:0220:02, 31 October 2013 diff hist −54 Rep:Mod:fred234 →Boat
19:5919:59, 31 October 2013 diff hist +9 Rep:Mod:fred234 →Boat
19:5819:58, 31 October 2013 diff hist +584 Rep:Mod:fred234 →Comparison between the "Hessian" optimised transition state and the "NoEigen" optimisation of the chair transition state.
19:5419:54, 31 October 2013 diff hist 0 N File:Chair ts hessian.PNG No edit summary current
19:4819:48, 31 October 2013 diff hist −4 Rep:Mod:fred234 →=Optimising using the frozen coordinate method
19:4519:45, 31 October 2013 diff hist +585 Rep:Mod:fred234 →Optimizing the "Chair" and "Boat" Transition Structures
19:2419:24, 31 October 2013 diff hist −48 Rep:Mod:fred234 →Optimising using the frozen coordinate method
19:2219:22, 31 October 2013 diff hist −9 Rep:Mod:fred234 →Lowest energy conformer of 1,5-hexadiene

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