User contributions for Ly2112
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16 December 2016
- 14:0414:04, 16 December 2016 diff hist −24 Rep:Mod:ly2112 →The orbital interaction
- 14:0314:03, 16 December 2016 diff hist 0 N File:屏幕快照 2016-12-16 14.03.04.png No edit summary current
- 13:5713:57, 16 December 2016 diff hist +34 Rep:Mod:ly2112 →Diels-Alder vs Cheletropic
- 13:5713:57, 16 December 2016 diff hist +264 Rep:Mod:ly2112 →Optimise the TSs for the heletropic reactions
- 13:5613:56, 16 December 2016 diff hist 0 N File:2016-12-16 13.56.21.png No edit summary current
- 13:5513:55, 16 December 2016 diff hist 0 File:Cyclo reactant LUMO.PNG Ly2112 uploaded a new version of File:Cyclo reactant LUMO.PNG current
- 13:5513:55, 16 December 2016 diff hist 0 File:Cyclo reactant HOMO.PNG Ly2112 uploaded a new version of File:Cyclo reactant HOMO.PNG current
- 13:5413:54, 16 December 2016 diff hist 0 N File:Xylylene TS chelate.PNG No edit summary current
- 13:5313:53, 16 December 2016 diff hist 0 File:REACTANTS NEW.LOG Ly2112 uploaded a new version of File:REACTANTS NEW.LOG current
- 13:5113:51, 16 December 2016 diff hist +297 Rep:Mod:ly2112 →Optimise the TSs for the endo- and exo- Diels-Alder reaction
- 13:5113:51, 16 December 2016 diff hist 0 N File:Xylylene TS exo LUMO.PNG No edit summary current
- 13:5013:50, 16 December 2016 diff hist 0 N File:Xylylene TS exo HOMO.PNG No edit summary current
- 13:4913:49, 16 December 2016 diff hist 0 N File:Xylylene TS exo.PNG No edit summary current
- 13:4813:48, 16 December 2016 diff hist 0 N File:XYLYLENE DIELS ALDER TS PM6 1.LOG No edit summary current
- 13:4713:47, 16 December 2016 diff hist +311 Rep:Mod:ly2112 →Optimise the TSs for the endo- and exo- Diels-Alder reaction
- 13:4613:46, 16 December 2016 diff hist 0 N File:XYLYLENE DIELS ALDER ENDO TS PM6 1.LOG No edit summary current
- 13:4513:45, 16 December 2016 diff hist 0 N File:Xylylene TS endo LUMO.PNG No edit summary current
- 13:4513:45, 16 December 2016 diff hist 0 N File:Xylylene TS endo HOMO.PNG No edit summary current
- 13:4413:44, 16 December 2016 diff hist 0 N File:Xylylene TS endo.PNG No edit summary current
- 13:2713:27, 16 December 2016 diff hist +76 Rep:Mod:ly2112 →Optimise the ENDO form
- 13:2613:26, 16 December 2016 diff hist −76 Rep:Mod:ly2112 →Optimise the EXO form
- 13:2613:26, 16 December 2016 diff hist +76 Rep:Mod:ly2112 →Optimise the EXO form
- 13:2613:26, 16 December 2016 diff hist 0 N File:ENDO TS B3LYP631G D.LOG No edit summary current
- 13:2213:22, 16 December 2016 diff hist 0 Rep:Mod:ly2112 →Optimise the EXO form
- 13:2113:21, 16 December 2016 diff hist +67 Rep:Mod:ly2112 →Optimise the EXO form
- 13:2013:20, 16 December 2016 diff hist 0 N File:18.54.png No edit summary current
- 13:1813:18, 16 December 2016 diff hist +33 Rep:Mod:ly2112 →MO diagram for the formation of the butadiene/ethene TS
- 13:1813:18, 16 December 2016 diff hist +49 Rep:Mod:ly2112 →Optimise the EXO form
- 12:5912:59, 16 December 2016 diff hist +362 Rep:Mod:ly2112 →Secondary orbital interaction
- 12:5912:59, 16 December 2016 diff hist 0 N File:2016-12-16 12.58.47.png No edit summary current
- 12:5812:58, 16 December 2016 diff hist +33 Rep:Mod:ly2112 →Compare The reaction path of two products
- 12:5712:57, 16 December 2016 diff hist 0 N File:2016-12-16 12.57.24.png No edit summary current
- 12:5312:53, 16 December 2016 diff hist 0 Rep:Mod:ly2112 →IRC calculation for each path
- 12:4412:44, 16 December 2016 diff hist +11 Rep:Mod:ly2112 →Optimise the reactants
- 12:4412:44, 16 December 2016 diff hist −9 Rep:Mod:ly2112 →Optimise the reactants
- 12:4212:42, 16 December 2016 diff hist −7 Rep:Mod:ly2112 →Optimise the reactants
- 12:4212:42, 16 December 2016 diff hist 0 N File:2DIO ENE NEWEST.LOG No edit summary current
- 12:4212:42, 16 December 2016 diff hist 0 N File:CYCLODIENE PM6 3.LOG No edit summary current
- 12:3812:38, 16 December 2016 diff hist −5 Rep:Mod:ly2112 →Optimise the reactants and TS
- 12:3712:37, 16 December 2016 diff hist 0 N File:5UDKS 5.LOG No edit summary current
- 12:3612:36, 16 December 2016 diff hist +8 Rep:Mod:ly2112 →Optimise the final product
- 12:3612:36, 16 December 2016 diff hist −4 Rep:Mod:ly2112 →Optimise the reactants and TS
- 12:3612:36, 16 December 2016 diff hist 0 N File:3FINAL PRODUCT CYCLOADDTION.LOG No edit summary current
- 12:3512:35, 16 December 2016 diff hist 0 N File:2BUTENE.LOG No edit summary current
- 12:3412:34, 16 December 2016 diff hist 0 N File:1ETHENE.LOG No edit summary current
- 12:1712:17, 16 December 2016 diff hist +8 Rep:Mod:ly2112 →Optimise the EXO form
- 12:1712:17, 16 December 2016 diff hist +8 Rep:Mod:ly2112 →Optimise the ENDO form
- 12:1212:12, 16 December 2016 diff hist +9 Rep:Mod:ly2112 →Optimise the reactants
- 12:1012:10, 16 December 2016 diff hist +8 Rep:Mod:ly2112 →Optimise the reactants
- 12:0912:09, 16 December 2016 diff hist +8 Rep:Mod:ly2112 →Optimise the final product