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User contributions for Wh1413

Results for Wh1413 talk block log uploads logs

A user with 954 edits. Account created on 22 November 2015.

15:3315:33, 28 November 2015 diff hist +480 Rep:Mod:14willh →Optimisation: QST2 Method
13:1113:11, 28 November 2015 diff hist −592 Rep:Mod:14willh →Optimisation: QST2 Method
13:0913:09, 28 November 2015 diff hist +1,656 Rep:Mod:14willh →Optimisation: QST2 Method
12:5412:54, 28 November 2015 diff hist −7 Rep:Mod:14willh →Comparison of Optimisation Methods
12:5312:53, 28 November 2015 diff hist 0 Rep:Mod:14willh →Optimisation: Known Guess Structure
12:5312:53, 28 November 2015 diff hist +541 Rep:Mod:14willh →Boat Transition Structure
12:4112:41, 28 November 2015 diff hist +7 Rep:Mod:14willh →Comparison of Optimisation Methods
12:4112:41, 28 November 2015 diff hist +27 Rep:Mod:14willh →Comparison of Optimisation Methods
12:3812:38, 28 November 2015 diff hist +1 Rep:Mod:14willh →Comparison of Optimisation Methods
12:3812:38, 28 November 2015 diff hist +408 Rep:Mod:14willh →Comparison of Optimisation Methods
12:3112:31, 28 November 2015 diff hist +144 Rep:Mod:14willh →Comparison of Optimisation Methods
12:2412:24, 28 November 2015 diff hist +7 Rep:Mod:14willh →Optimisation to a TS (Berny)
12:2412:24, 28 November 2015 diff hist +1 Rep:Mod:14willh →Optimisation: Frozen Coordinate Method
12:2012:20, 28 November 2015 diff hist +290 Rep:Mod:14willh →Optimisation: Frozen Coordinate Method
12:1512:15, 28 November 2015 diff hist +209 Rep:Mod:14willh →Comparison of Optimisation Methods
12:0312:03, 28 November 2015 diff hist +135 Rep:Mod:14willh →Comparison of Optimisation Methods
12:0212:02, 28 November 2015 diff hist +1,224 Rep:Mod:14willh →Optimisation: Frozen Coordinate Method
11:4211:42, 28 November 2015 diff hist +2 Rep:Mod:14willh →Optimisation: Frozen Coordinate Method
11:2511:25, 28 November 2015 diff hist +1,094 Rep:Mod:14willh →Chair Transition Structure

21:1821:18, 27 November 2015 diff hist +1 Rep:Mod:14willh →Optimisation to a TS (Berny)
21:1521:15, 27 November 2015 diff hist +226 Rep:Mod:14willh →Optimisation to a TS (Berny)
20:2820:28, 27 November 2015 diff hist +687 Rep:Mod:14willh →Chair Transition Structure
19:5719:57, 27 November 2015 diff hist +2,096 Rep:Mod:14willh →Chair Transition Structure
19:2419:24, 27 November 2015 diff hist −202 Rep:Mod:14willh →Chair Transition Structure
19:2019:20, 27 November 2015 diff hist 0 N File:WhReact anti2 B3LYP631Gd opt mo23.cub No edit summary current
19:1919:19, 27 November 2015 diff hist 0 Rep:Mod:14willh →Chair Transition Structure
19:1619:16, 27 November 2015 diff hist 0 N File:WhReact anti2 B3LYP631Gd opt MO2.chk No edit summary current
19:1419:14, 27 November 2015 diff hist +297 Rep:Mod:14willh →Chair Transition Structure
19:1419:14, 27 November 2015 diff hist 0 N File:WhREACT ANTI2 B3LYP631GD OPT MO2.LOG No edit summary current
16:3616:36, 27 November 2015 diff hist +34 Rep:Mod:14willh →Chair Transition Structure
16:0216:02, 27 November 2015 diff hist +39 Rep:Mod:14willh →Optimising the "Chair" and "Boat" Transition Structures
15:5815:58, 27 November 2015 diff hist −28 Rep:Mod:14willh →Zero-Point Energy Correction
15:5515:55, 27 November 2015 diff hist 0 Rep:Mod:14willh →Zero-Point Energy Correction
15:5415:54, 27 November 2015 diff hist 0 Rep:Mod:14willh →Zero-Point Energy Correction
15:5315:53, 27 November 2015 diff hist +1,699 Rep:Mod:14willh →Zero-Point Energy Correction
15:5215:52, 27 November 2015 diff hist 0 N File:WhMolecular Partition Function.png No edit summary current
14:5714:57, 27 November 2015 diff hist −58 Rep:Mod:14willh →Zero-Point Energy Correction
14:5614:56, 27 November 2015 diff hist +55 Rep:Mod:14willh →Zero-Point Energy Correction
14:5314:53, 27 November 2015 diff hist −2 Rep:Mod:14willh →Zero-Point Energy Correction
14:5214:52, 27 November 2015 diff hist −24 Rep:Mod:14willh →Zero-Point Energy Correction
14:5114:51, 27 November 2015 diff hist +2 Rep:Mod:14willh →Zero-Point Energy Correction
14:5014:50, 27 November 2015 diff hist +25 Rep:Mod:14willh →Zero-Point Energy Correction
14:4814:48, 27 November 2015 diff hist +2,237 Rep:Mod:14willh →Zero-Point Energy Correction
14:4714:47, 27 November 2015 diff hist 0 N File:WhREACT ANTI2 B3LYP631GD FREQ.LOG No edit summary current
14:4314:43, 27 November 2015 diff hist +300 Rep:Mod:14willh →Zero-Point Energy Correction
14:2814:28, 27 November 2015 diff hist +4 Rep:Mod:14willh →Dihedral Angles
14:2714:27, 27 November 2015 diff hist +287 Rep:Mod:14willh →Dihedral Angles
14:2314:23, 27 November 2015 diff hist +94 Rep:Mod:14willh →Zero-Point Energy Correction
14:1714:17, 27 November 2015 diff hist +825 Rep:Mod:14willh →Dihedral Angles
13:5613:56, 27 November 2015 diff hist +868 Rep:Mod:14willh →Dihedral Angles

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