User contributions for Mtn113
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16 December 2015
- 18:5518:55, 16 December 2015 diff hist 0 File:Mtn113 CHAIR TS REDUNDANT COORDINATE.mol Mtn113 uploaded a new version of File:Mtn113 CHAIR TS REDUNDANT COORDINATE.mol
- 18:5518:55, 16 December 2015 diff hist +107 Rep:Mod:Mtn113 →Optimisation via QST2/QST3
- 18:5218:52, 16 December 2015 diff hist 0 File:Mtn113 CHAIR TS OPT BERNY.mol Mtn113 uploaded a new version of File:Mtn113 CHAIR TS OPT BERNY.mol current
- 18:4818:48, 16 December 2015 diff hist 0 Rep:Mod:Mtn113 →Optimisation via frozen coordinates
- 18:4818:48, 16 December 2015 diff hist 0 N File:Mtn113 CHAIR TS REDUNDANT COORDINATE.mol No edit summary
- 18:4418:44, 16 December 2015 diff hist −147 Rep:Mod:Mtn113 →Optimisation via TS Berny
- 18:4318:43, 16 December 2015 diff hist +147 Rep:Mod:Mtn113 →Optimisation via TS Berny
- 18:4118:41, 16 December 2015 diff hist 0 Rep:Mod:Mtn113 →Optimisation via TS Berny
- 18:4018:40, 16 December 2015 diff hist 0 N File:Mtn113 CHAIR TS OPT BERNY.mol No edit summary
- 18:3718:37, 16 December 2015 diff hist +11 Rep:Mod:Mtn113 →1,5-hexadiene (Anti2 Conformation)
- 18:3618:36, 16 December 2015 diff hist 0 N File:Mtn113 REACT FREQ DFT ANTI2.mol No edit summary current
- 18:3518:35, 16 December 2015 diff hist 0 N File:Mtn113 REACT FREQ ANTI2.mol No edit summary current
- 18:3318:33, 16 December 2015 diff hist −5 Rep:Mod:Mtn113 →1,5-hexadiene (Anti2 Conformation)
- 18:3318:33, 16 December 2015 diff hist 0 N File:Mtn113 REACT DFT ANTI2.mol No edit summary current
- 18:3218:32, 16 December 2015 diff hist 0 N File:Mtn113 REACT ANTI2.mol No edit summary current
- 18:3018:30, 16 December 2015 diff hist +6 Rep:Mod:Mtn113 →1,5-hexadiene (Gauche3 Conformation)
- 18:3018:30, 16 December 2015 diff hist 0 N File:Mtn113 REACT GAUCHE.mol No edit summary current
- 18:2918:29, 16 December 2015 diff hist 0 Rep:Mod:Mtn113 →1,5-hexadiene (Anti1 Conformation)
- 18:2918:29, 16 December 2015 diff hist 0 N File:Mtn113 REACT ANTI1.mol No edit summary current
- 18:2318:23, 16 December 2015 diff hist −13 Rep:Mod:Mtn113 →Obtaining the Transition State via TS Berny
- 18:2318:23, 16 December 2015 diff hist 0 N File:Mtn113 ETHENE CISBUTADIENE TS BERNY NEW DFT.LOG No edit summary current
- 18:2018:20, 16 December 2015 diff hist 0 Rep:Mod:Mtn113 →Obtaining the Transition State via TS Berny
- 18:2018:20, 16 December 2015 diff hist 0 N File:Mtn113 ETHENE CISBUTADIENE TS BERNY NEW.LOG No edit summary current
- 18:1818:18, 16 December 2015 diff hist +11 Rep:Mod:Mtn113 →Obtaining the Transition State via TS Berny
- 18:1418:14, 16 December 2015 diff hist 0 Rep:Mod:Mtn113 →Obtaining the Transition State via TS Berny
- 18:1118:11, 16 December 2015 diff hist 0 Rep:Mod:Mtn113 →Obtaining the Transition State via TS Berny
- 18:1018:10, 16 December 2015 diff hist −54 Rep:Mod:Mtn113 →Obtaining the Transition State via TS Berny
- 18:0718:07, 16 December 2015 diff hist +1,975 Rep:Mod:Mtn113 No edit summary
- 18:0618:06, 16 December 2015 diff hist 0 N File:Mtn113 EXO NEW TSBERNY.LOG No edit summary current
- 18:0518:05, 16 December 2015 diff hist 0 N File:Mtn113 ENDO NEW TSBERNY.LOG No edit summary current
- 17:5917:59, 16 December 2015 diff hist +80 Rep:Mod:Mtn113 →Frequency Analysis
- 17:5917:59, 16 December 2015 diff hist 0 N File:Mtn113 REACT FREQ DFT ANTI2.LOG No edit summary current
- 17:5717:57, 16 December 2015 diff hist −11 Rep:Mod:Mtn113 →Frequency Analysis
- 17:5617:56, 16 December 2015 diff hist +3 Rep:Mod:Mtn113 →1,5-hexadiene (Anti2 Conformation)
- 17:5617:56, 16 December 2015 diff hist 0 File:Mtn113 REACT ANTI2.LOG Mtn113 uploaded a new version of File:Mtn113 REACT ANTI2.LOG current
- 17:5317:53, 16 December 2015 diff hist +3 Rep:Mod:Mtn113 →1,5-hexadiene (Anti2 Conformation)
- 17:5217:52, 16 December 2015 diff hist 0 N File:Mtn113 REACT ANTI2.LOG No edit summary
- 17:5117:51, 16 December 2015 diff hist +371 Rep:Mod:Mtn113 No edit summary
- 17:4917:49, 16 December 2015 diff hist +16 Rep:Mod:Mtn113 →1,5-hexadiene (Anti2 Conformation)
- 17:4817:48, 16 December 2015 diff hist −5 Rep:Mod:Mtn113 →1,5-hexadiene (Gauche3 Conformation)
- 17:4817:48, 16 December 2015 diff hist +196 Rep:Mod:Mtn113 →1,5-hexadiene (Gauche3 Conformation)
- 17:4817:48, 16 December 2015 diff hist −28 Rep:Mod:Mtn113 →1,5-hexadiene (Anti1 Conformation)
- 17:4717:47, 16 December 2015 diff hist +6 Rep:Mod:Mtn113 →1,5-hexadiene (Anti1 Conformation)
- 17:4417:44, 16 December 2015 diff hist +218 Rep:Mod:Mtn113 →1,5-hexadiene (Anti1 Conformation)
- 17:4217:42, 16 December 2015 diff hist +399 Rep:Mod:Mtn113 →Geometrical Analysis
- 17:3617:36, 16 December 2015 diff hist +28 Rep:Mod:Mtn113 →Conclusion
- 17:3317:33, 16 December 2015 diff hist +435 Rep:Mod:Mtn113 →Activation Energy Comparison
- 17:2217:22, 16 December 2015 diff hist +161 Rep:Mod:Mtn113 →Activation Energy Comparison Tag: Visual edit
- 17:1217:12, 16 December 2015 diff hist 0 Rep:Mod:Mtn113 →Activation Energy Comparison
- 17:1117:11, 16 December 2015 diff hist −5 Rep:Mod:Mtn113 →Conformational Analysis