User contributions for Hl1910
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15 March 2013
- 06:4306:43, 15 March 2013 diff hist 0 N File:CHAIR TS GUESS INPUT.LOG No edit summary current
- 06:3906:39, 15 March 2013 diff hist +895 Rep:Mod:hl1910 1 →"Chair" and "Boat" Transition Structures
- 06:3906:39, 15 March 2013 diff hist 0 N File:Chair ts guess hl1910.mol No edit summary current
- 06:0706:07, 15 March 2013 diff hist 0 N File:ALLYL OPT.LOG No edit summary current
- 05:2205:22, 15 March 2013 diff hist +38 Rep:Mod:hl1910 1 →Frequency analysis of Ci conformer
- 05:1805:18, 15 March 2013 diff hist +1,249 Rep:Mod:hl1910 1 →Thermochemistry
- 04:4404:44, 15 March 2013 diff hist −52 Rep:Mod:hl1910 1 →Frequency analysis
- 04:4104:41, 15 March 2013 diff hist +98 Rep:Mod:hl1910 1 →References
- 04:3804:38, 15 March 2013 diff hist −2 Rep:Mod:hl1910 1 →Frequency analysis
- 04:3404:34, 15 March 2013 diff hist +425 Rep:Mod:hl1910 1 →Frequency analysis
- 04:2304:23, 15 March 2013 diff hist 0 N File:IR Ci.png No edit summary current
- 02:2302:23, 15 March 2013 diff hist +143 Rep:Mod:hl1910 1 →Frequency analysis
- 02:2002:20, 15 March 2013 diff hist 0 N File:IR spectrum 1,5-hexadiene Ci.svg No edit summary current
14 March 2013
- 15:5915:59, 14 March 2013 diff hist +1,102 Rep:Mod:hl1910 1 →Frequency analysis
- 15:4515:45, 14 March 2013 diff hist +161 Rep:Mod:hl1910 1 →Optimisation using DFT, B3LYP/6-31G
- 15:3615:36, 14 March 2013 diff hist +445 Rep:Mod:hl1910 1 →Optimisation using DFT, B3LYP/6-31G
- 15:2915:29, 14 March 2013 diff hist +2 Rep:Mod:hl1910 1 →Optimisation using DFT, B3LYP/6-31G
- 15:2815:28, 14 March 2013 diff hist +2 Rep:Mod:hl1910 1 →Optimisation using DFT, B3LYP/6-31G
- 14:1214:12, 14 March 2013 diff hist +254 Rep:Mod:hl1910 1 →Optimisation using DFT, B3LYP/6-31G
- 14:0614:06, 14 March 2013 diff hist −17 Rep:Mod:hl1910 1 →Optimisation using DFT, B3LYP/6-31G
- 14:0514:05, 14 March 2013 diff hist +63 Rep:Mod:hl1910 1 →Optimisation using DFT, B3LYP/6-31G
- 14:0414:04, 14 March 2013 diff hist 0 N File:GAUCHE C1 1 631G.mol No edit summary current
- 14:0014:00, 14 March 2013 diff hist 0 N File:GAUCHE C1 1 631G.LOG No edit summary current
- 13:5813:58, 14 March 2013 diff hist +182 Rep:Mod:hl1910 1 →Optimisation using DFT, B3LYP/6-31G
- 13:5213:52, 14 March 2013 diff hist 0 File:App C2h 631g.mol uploaded a new version of "File:App C2h 631g.mol" current
- 13:5013:50, 14 March 2013 diff hist +5 Rep:Mod:hl1910 1 →Optimisation using DFT, B3LYP/6-31G
- 13:5013:50, 14 March 2013 diff hist 0 N File:APP C2H 631G.LOG No edit summary current
- 13:4813:48, 14 March 2013 diff hist +166 Rep:Mod:hl1910 1 →Optimisation using DFT, B3LYP/6-31G
- 13:4213:42, 14 March 2013 diff hist 0 N File:App C2h 631g.mol No edit summary
- 13:4113:41, 14 March 2013 diff hist +63 Rep:Mod:hl1910 1 →Optimisation using DFT, B3LYP/6-31G
- 13:2813:28, 14 March 2013 diff hist +308 Rep:Mod:hl1910 1 →Optimisation using DFT, B3LYP/6-31G
- 13:0813:08, 14 March 2013 diff hist +180 Rep:Mod:hl1910 1 →Optimisation using DFT, B3LYP/6-31G
- 12:5812:58, 14 March 2013 diff hist 0 N File:APP CI 631G.mol No edit summary current
- 12:5512:55, 14 March 2013 diff hist 0 N File:APP CI 631G.LOG No edit summary current
- 01:1901:19, 14 March 2013 diff hist +49 Rep:Mod:hl1910 1 →"Chair" and "Boat" Transition Structures
- 01:1101:11, 14 March 2013 diff hist +114 Rep:Mod:hl1910 1 →Thermochemistry
- 01:0901:09, 14 March 2013 diff hist −13 Rep:Mod:hl1910 1 →Lowest Energy conformation
- 01:0601:06, 14 March 2013 diff hist −4 Rep:Mod:hl1910 1 →Gauche 1,5-hexadiene
- 01:0601:06, 14 March 2013 diff hist −3 Rep:Mod:hl1910 1 →Antiperiplanar (app) and Gauche 1,5-hexadiene
- 01:0501:05, 14 March 2013 diff hist −17 Rep:Mod:hl1910 1 →The Cope rearrangement
- 01:0201:02, 14 March 2013 diff hist +793 Rep:Mod:hl1910 1 →Optimisation of 1,5-hexadiene using DFT, B3LYP/6-31G
- 00:3900:39, 14 March 2013 diff hist +123 Rep:Mod:hl1910 1 →References
- 00:3600:36, 14 March 2013 diff hist +9 Rep:Mod:hl1910 1 →Optimisation of 1,5-hexadiene using DFT, B3LYP/6-31G
- 00:3600:36, 14 March 2013 diff hist +41 Rep:Mod:hl1910 1 →Optimisation of 1,5-hexadiene using DFT, B3LYP/6-31G
- 00:3400:34, 14 March 2013 diff hist 0 Rep:Mod:hl1910 1 →References
- 00:3400:34, 14 March 2013 diff hist +132 Rep:Mod:hl1910 1 →References
- 00:3200:32, 14 March 2013 diff hist +569 Rep:Mod:hl1910 1 →The Cope rearrangement
- 00:1000:10, 14 March 2013 diff hist +104 Rep:Mod:hl1910 1 →Introduction
- 00:0800:08, 14 March 2013 diff hist +83 Rep:Mod:hl1910 1 →References
- 00:0400:04, 14 March 2013 diff hist +61 Rep:Mod:hl1910 1 →Introduction