User contributions for Wh1413
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28 November 2015
- 22:3022:30, 28 November 2015 diff hist 0 File:WhCHAIR TS GUESS MODREDUNDANT HF321G.LOG Wh1413 uploaded a new version of File:WhCHAIR TS GUESS MODREDUNDANT HF321G.LOG current
- 22:2922:29, 28 November 2015 diff hist +2,042 Rep:Mod:14willh →Optimisation: Frozen Coordinate Method
- 22:2822:28, 28 November 2015 diff hist 0 N File:WhCHAIR TS GUESS MODREDUNDANT HF321G.LOG No edit summary
- 22:2522:25, 28 November 2015 diff hist 0 Rep:Mod:14willh →Optimisation: Frozen Coordinate Method
- 22:2222:22, 28 November 2015 diff hist −30 Rep:Mod:14willh →Optimisation: Eigenvector Following
- 22:2122:21, 28 November 2015 diff hist +2,031 Rep:Mod:14willh →Optimisation: Eigenvector Following
- 22:1422:14, 28 November 2015 diff hist −1,901 Rep:Mod:14willh →Optimisation: Eigenvector Following
- 22:0622:06, 28 November 2015 diff hist 0 Rep:Mod:14willh →Optimisation: Eigenvector Following
- 22:0422:04, 28 November 2015 diff hist 0 Rep:Mod:14willh →Optimisation: Eigenvector Following
- 22:0222:02, 28 November 2015 diff hist +1,548 Rep:Mod:14willh →Optimisation: Eigenvector Following
- 21:5821:58, 28 November 2015 diff hist 0 N File:WhCHAIR TS GUESS OPTFREQ HF321G.LOG No edit summary current
- 21:5521:55, 28 November 2015 diff hist +353 Rep:Mod:14willh →Optimisation: Eigenvector Following
- 21:5321:53, 28 November 2015 diff hist +7 Rep:Mod:14willh →Chair Transition Structure
- 21:5221:52, 28 November 2015 diff hist +35 Rep:Mod:14willh →Chair Transition Structure
- 21:5121:51, 28 November 2015 diff hist +39 Rep:Mod:14willh →Chair Transition Structure
- 21:5021:50, 28 November 2015 diff hist 0 N File:WhHarmonic Oscillator.png No edit summary current
- 21:4921:49, 28 November 2015 diff hist +37 Rep:Mod:14willh →Chair Transition Structure
- 21:4821:48, 28 November 2015 diff hist 0 N File:WhChair guess ts.png No edit summary current
- 21:4021:40, 28 November 2015 diff hist 0 N File:WhAllyl fragment HF321G opt.chk No edit summary current
- 21:3921:39, 28 November 2015 diff hist 0 N File:WhALLYL FRAGMENT HF321G OPT.LOG No edit summary current
- 21:3821:38, 28 November 2015 diff hist +76 Rep:Mod:14willh →Chair Transition Structure
- 21:3621:36, 28 November 2015 diff hist 0 N File:WhAllyl fragment.png No edit summary current
- 21:2721:27, 28 November 2015 diff hist −52 Rep:Mod:14willh →Bond Lengths
- 21:2421:24, 28 November 2015 diff hist +81 Rep:Mod:14willh →Bond Lengths
- 21:2221:22, 28 November 2015 diff hist 0 N File:WhAnti2 labelled.png No edit summary current
- 21:2021:20, 28 November 2015 diff hist +98 Rep:Mod:14willh →Optimisation of the Gauche3 Conformer
- 21:1721:17, 28 November 2015 diff hist 0 Rep:Mod:14willh →Optimisation of the Gauche3 Conformer
- 21:1721:17, 28 November 2015 diff hist +115 Rep:Mod:14willh →Optimisation of the Gauche3 Conformer
- 21:1521:15, 28 November 2015 diff hist 0 N File:WhGauche3 HOMO.png No edit summary current
- 21:1421:14, 28 November 2015 diff hist +131 Rep:Mod:14willh →Optimisation of the Gauche1 Conformer
- 21:1221:12, 28 November 2015 diff hist 0 N File:WhAnti1 HOMO.png No edit summary current
- 21:0421:04, 28 November 2015 diff hist 0 N File:WhGauche1 HOMO.png No edit summary current
- 20:3820:38, 28 November 2015 diff hist −403 Rep:Mod:14willh →Optimisation of the Gauche3 Conformer
- 20:2220:22, 28 November 2015 diff hist 0 File:WhREACT GUACHE3 HF321G OPT GFPRINT.LOG Wh1413 uploaded a new version of File:WhREACT GUACHE3 HF321G OPT GFPRINT.LOG current
- 20:2120:21, 28 November 2015 diff hist 0 File:WhREACT GUACHE3 HF321G OPT GFPRINT.LOG Wh1413 uploaded a new version of File:WhREACT GUACHE3 HF321G OPT GFPRINT.LOG
- 20:1820:18, 28 November 2015 diff hist 0 File:WhREACT GUACHE3 HF321G OPT GFPRINT.LOG Wh1413 uploaded a new version of File:WhREACT GUACHE3 HF321G OPT GFPRINT.LOG
- 20:1620:16, 28 November 2015 diff hist +104 Rep:Mod:14willh →Optimisation of the Gauche3 Conformer
- 20:0720:07, 28 November 2015 diff hist +301 Rep:Mod:14willh →Optimisation of the Gauche3 Conformer
- 20:0620:06, 28 November 2015 diff hist 0 N File:WhREACT GUACHE3 HF321G OPT GFPRINT.LOG No edit summary
- 20:0520:05, 28 November 2015 diff hist +498 Rep:Mod:14willh →IRC: Minimisation From the Last Point on the IRC
- 18:4918:49, 28 November 2015 diff hist +136 Rep:Mod:14willh →Intrinsic Reaction Coordinate (IRC)
- 18:3518:35, 28 November 2015 diff hist +921 Rep:Mod:14willh →Intrinsic Reaction Coordinate (IRC)
- 18:2618:26, 28 November 2015 diff hist +371 Rep:Mod:14willh →Intrinsic Reaction Coordinate (IRC)
- 18:1618:16, 28 November 2015 diff hist +33 Rep:Mod:14willh →Boat Transition Structure
- 18:1418:14, 28 November 2015 diff hist +1,440 Rep:Mod:14willh →Optimisation: QST3 Method
- 17:3217:32, 28 November 2015 diff hist −7 Rep:Mod:14willh →Optimisation: QST2 Method
- 17:3117:31, 28 November 2015 diff hist −1 Rep:Mod:14willh →Optimisation: QST2 Method
- 17:3117:31, 28 November 2015 diff hist +17 Rep:Mod:14willh →Optimisation: QST2 Method
- 17:2617:26, 28 November 2015 diff hist +31 Rep:Mod:14willh →Optimisation: QST2 Method
- 17:2417:24, 28 November 2015 diff hist +1,631 Rep:Mod:14willh →Optimisation: QST2 Method