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3 November 2015
- 17:3217:32, 3 November 2015 diff hist −18 Rep:Mod:96499348 →Exercise: Diels-Alder Cycloaddition Reaction (using AM1 semi-empirical molecular orbital method)
- 17:3117:31, 3 November 2015 diff hist +91 Rep:Mod:96499348 →Building the TS and Visualising the MOs (HOMO and LUMO) Tag: Visual edit
- 17:3017:30, 3 November 2015 diff hist 0 N File:TSlowestpositivefreqanimation.gif No edit summary current
- 17:2517:25, 3 November 2015 diff hist +2 Rep:Mod:96499348 →Part B: Optimizing the "Chair" and "Boat" Transition Structures
- 17:2317:23, 3 November 2015 diff hist +6 Rep:Mod:96499348 →Building the TS and Visualising the MOs (HOMO and LUMO)
- 17:2117:21, 3 November 2015 diff hist +1 Rep:Mod:96499348 No edit summary Tag: Visual edit
- 17:2017:20, 3 November 2015 diff hist +170 Rep:Mod:96499348 No edit summary
- 17:1817:18, 3 November 2015 diff hist +209 Rep:Mod:96499348 →Diels-Alder Cycloaddition Reaction between Cyclo-1,3-hexadiene and Maleic Anhydride Tag: Visual edit
- 17:1717:17, 3 November 2015 diff hist 0 N File:TSimaginaryfreqanimation.gif No edit summary current
- 17:1217:12, 3 November 2015 diff hist −5 Rep:Mod:96499348 No edit summary
- 17:1017:10, 3 November 2015 diff hist +14 Rep:Mod:96499348 No edit summary
- 17:0417:04, 3 November 2015 diff hist −4 Rep:Mod:96499348 No edit summary
- 17:0217:02, 3 November 2015 diff hist −59 Rep:Mod:96499348 No edit summary Tag: Visual edit: Switched
- 13:5413:54, 3 November 2015 diff hist +420 Rep:Mod:96499348 →Building the TS and Visualising the MOs (HOMO and LUMO) Tag: Visual edit
- 13:5313:53, 3 November 2015 diff hist 0 N File:LUMO-butadienetheneTS.jpg No edit summary current
- 13:5113:51, 3 November 2015 diff hist 0 N File:HOMO-butadienetheneTS.jpg No edit summary current
- 13:4913:49, 3 November 2015 diff hist +1,597 Rep:Mod:96499348 →Exercise: Diels-Alder Cycloaddition Reaction Tag: Visual edit
- 13:3513:35, 3 November 2015 diff hist 0 N File:GeometryofbutadienetheneTS.jpg No edit summary current
- 13:2413:24, 3 November 2015 diff hist 0 N File:CisbutadieneLUMOyo.jpg No edit summary current
- 13:2013:20, 3 November 2015 diff hist 0 File:CisbutadieneHOMO.jpg Yo113 uploaded a new version of File:CisbutadieneHOMO.jpg current
- 00:0200:02, 3 November 2015 diff hist +398 Rep:Mod:96499348 →Exercise: Diels-Alder Reaction Tag: Visual edit
2 November 2015
- 23:4223:42, 2 November 2015 diff hist +190 Rep:Mod:96499348 →Part A: Optimising the reactants and products in an example with 1,5-hexadiene Tag: Visual edit
- 22:1822:18, 2 November 2015 diff hist +790 Rep:Mod:96499348 →Part B: Optimizing the "Chair" and "Boat" Transition Structures Tag: Visual edit
- 22:1322:13, 2 November 2015 diff hist 0 N File:BoatTSyo.png No edit summary current
- 22:1022:10, 2 November 2015 diff hist 0 N File:SideviewoferroneousTS.png No edit summary current
- 21:5621:56, 2 November 2015 diff hist +15 N File:Qst2topview.png QST2opt-topview current
- 21:5221:52, 2 November 2015 diff hist +122 N File:ChairTSoptmodredundant.png Geometry of Chair Transition State after HF/3-21G optimisation and further optimisation using the Frozen Coordinate Method current
- 21:4821:48, 2 November 2015 diff hist +66 N File:ChairTS321gopt.png Geometry of the chair transition state optimised at HF/3-21G level current
- 21:4521:45, 2 November 2015 diff hist +134 Rep:Mod:96499348 →Part B: Optimizing the "Chair" and "Boat" Transition Structures Tag: Visual edit
- 20:2820:28, 2 November 2015 diff hist +38 Rep:Mod:96499348 →Transition Structures Tag: Visual edit
- 20:2720:27, 2 November 2015 diff hist −20 Rep:Mod:96499348 →Part A: Optimising the reactants and products in an example with 1,5-hexadiene Tag: Visual edit
- 20:2520:25, 2 November 2015 diff hist +64 Rep:Mod:96499348 →Part A: Optimising the reactants and products in an example with 1,5-hexadiene Tag: Visual edit
- 20:2020:20, 2 November 2015 diff hist +116 Rep:Mod:96499348 →Transition Structures Tag: Visual edit
- 20:1220:12, 2 November 2015 diff hist +86 N File:APPCi-optimised-DFT-6-31G.png 1,5-hexadiene antiperiplanar structure with Ci symmetry - optimised at DFT-6-31G level current
- 20:1120:11, 2 November 2015 diff hist +278 Rep:Mod:96499348 →Part A: Optimising the reactants and products in an example with 1,5-hexadiene Tag: Visual edit
- 20:0220:02, 2 November 2015 diff hist +69 N File:APPCi-unoptimised.png 1,5-hexadiene antiperiplanar structure with Ci symmetry - unoptimised current
- 20:0020:00, 2 November 2015 diff hist +18 Rep:Mod:96499348 →Part B: Optimizing the "Chair" and "Boat" Transition Structures Tag: Visual edit
- 19:5019:50, 2 November 2015 diff hist +863 Rep:Mod:96499348 →Tutorial B: Optimizing the "Chair" and "Boat" Transition Structures Tag: Visual edit
1 November 2015
- 23:5023:50, 1 November 2015 diff hist +168 Rep:Mod:96499348 →Tutorial B: Optimizing the "Chair" and "Boat" Transition Structures Tag: Visual edit
30 October 2015
- 19:1719:17, 30 October 2015 diff hist −101 Rep:Mod:96499348 No edit summary Tag: Visual edit
29 October 2015
- 16:2116:21, 29 October 2015 diff hist 0 N File:I.jpg No edit summary current
- 16:1616:16, 29 October 2015 diff hist +118 Rep:Mod:96499348 →Tutorial A: Optimising the reactants and products in an example with 1,5-hexadiene Tag: Visual edit
- 16:0416:04, 29 October 2015 diff hist −44 Rep:Mod:96499348 No edit summary Tag: Visual edit
- 15:5615:56, 29 October 2015 diff hist −2 Rep:Mod:96499348 →Tutorial A: Optimising the reactants and products in an example with 1,5-hexadiene Tag: Visual edit
- 15:5315:53, 29 October 2015 diff hist +169 Rep:Mod:96499348 No edit summary Tag: Visual edit
- 15:4315:43, 29 October 2015 diff hist +1 Rep:Mod:96499348 No edit summary Tag: Visual edit
- 15:4115:41, 29 October 2015 diff hist −219 Rep:Mod:96499348 No edit summary Tag: Visual edit
- 15:3715:37, 29 October 2015 diff hist +83 Rep:Mod:96499348 No edit summary Tag: Visual edit
- 15:2815:28, 29 October 2015 diff hist +10 Rep:Mod:96499348 No edit summary Tag: Visual edit
- 15:2115:21, 29 October 2015 diff hist +4,374 N Rep:Mod:96499348 Created page with "Tutorial A: Optimizing the Reactants and Products 1,5-hexadiene: In this section you will learn how to optimize a structure, symmetrize it to find its point group, calculate a..."