User contributions for Cbl08
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17 December 2010
- 09:5909:59, 17 December 2010 diff hist −87 Rep:Mod:bgasuki →G) Activation Energy of the Transition Structure
- 09:5809:58, 17 December 2010 diff hist +2 Rep:Mod:bgasuki →F) Comparison between Optimisation at HF/3-21G and DFT-B3LYP/6-31G Level
- 09:5709:57, 17 December 2010 diff hist +2 Rep:Mod:bgasuki →Optimisation of Transition Structures
- 09:5609:56, 17 December 2010 diff hist +2 Rep:Mod:bgasuki →Optimisation of Transition Structures
- 09:5409:54, 17 December 2010 diff hist +24 Rep:Mod:bgasuki →Introduction
- 09:5409:54, 17 December 2010 diff hist +427 Rep:Mod:bgasuki →Reference
- 09:4509:45, 17 December 2010 diff hist −199 Rep:Mod:bgasuki →Introduction
- 09:3409:34, 17 December 2010 diff hist +1 Rep:Mod:bgasuki →Reference
- 09:3309:33, 17 December 2010 diff hist +13 Rep:Mod:bgasuki →Reference
- 09:3209:32, 17 December 2010 diff hist +112 Rep:Mod:bgasuki →Optimisation of Transition Structures
- 09:3109:31, 17 December 2010 diff hist −4 Rep:Mod:bgasuki →Optimisation of Transition Structures
- 09:3009:30, 17 December 2010 diff hist +862 Rep:Mod:bgasuki →Optimisation of Transition Structures
- 09:2609:26, 17 December 2010 diff hist 0 N File:Secondary orbital overlap2.png No edit summary current
- 09:1709:17, 17 December 2010 diff hist +411 Rep:Mod:bgasuki →iii) Regio-selectivity of Cycloaddition between hexa-1,3-diene and Maleic Anhydride
- 09:1409:14, 17 December 2010 diff hist +245 Rep:Mod:bgasuki →iii) Regio-selectivity of Cycloaddition between hexa-1,3-diene and Maleic Anhydride
- 09:1009:10, 17 December 2010 diff hist +126 Rep:Mod:bgasuki →iii) Regio-selectivity of Cycloaddition between hexa-1,3-diene and Maleic Anhydride
- 09:0809:08, 17 December 2010 diff hist +410 Rep:Mod:bgasuki →iii) Regio-selectivity of Cycloaddition between hexa-1,3-diene and Maleic Anhydride
- 09:0209:02, 17 December 2010 diff hist +580 Rep:Mod:bgasuki →ii) Optimisation of the Transition State
- 08:4708:47, 17 December 2010 diff hist +702 Rep:Mod:bgasuki →ii) Optimisation of the Transition State
- 08:3208:32, 17 December 2010 diff hist +265 Rep:Mod:bgasuki →iii) Regio-selectivity of Cycloaddition between hexa-1,3-diene and Maleic Anhydride
- 08:3008:30, 17 December 2010 diff hist 0 N File:Cbl secondary orbital overlap.png No edit summary current
- 08:2808:28, 17 December 2010 diff hist 0 N File:Cbl Diels Alder Rxn scheme.png No edit summary current
- 08:1508:15, 17 December 2010 diff hist +2 Rep:Mod:bgasuki →E) Optimisation of Boat Transition Structure with QST2 method
- 08:1408:14, 17 December 2010 diff hist +260 Rep:Mod:bgasuki →G) Frequency Analysis
- 08:0708:07, 17 December 2010 diff hist 0 Rep:Mod:bgasuki →G) Frequency Analysis
- 08:0608:06, 17 December 2010 diff hist +16 Rep:Mod:bgasuki →F) Comparison between Optimisation at HF/3-21G and DFT-B3LYP/6-31G Level
- 08:0608:06, 17 December 2010 diff hist −2 Rep:Mod:bgasuki →D) Identification of Optimised Structure
- 08:0508:05, 17 December 2010 diff hist +67 Rep:Mod:bgasuki →D) Identification of Optimised Structure
- 08:0208:02, 17 December 2010 diff hist +1 Rep:Mod:bgasuki →Optimisation of Reactant and Product
- 08:0108:01, 17 December 2010 diff hist +839 Rep:Mod:bgasuki →G) Frequency Analysis
- 07:5907:59, 17 December 2010 diff hist 0 N File:Cbl anti 2 IR spectrum.png No edit summary current
- 07:5507:55, 17 December 2010 diff hist +891 Rep:Mod:bgasuki →G) Frequency
- 07:4507:45, 17 December 2010 diff hist +1,067 Rep:Mod:bgasuki →F) Comparison between Optimisation at HF/3-21G and DFT-B3LYP/6-31G Level
- 03:5103:51, 17 December 2010 diff hist −17 Rep:Mod:bgasuki →iii) Regio-selectivity of Cycloaddition between hexa-1,3-diene and Maleic Anhydride
- 03:5003:50, 17 December 2010 diff hist +3 Rep:Mod:bgasuki →iii) Regio-selectivity of Cycloaddition between hexa-1,3-diene and Maleic Anhydride
- 03:4803:48, 17 December 2010 diff hist +128 Rep:Mod:bgasuki →iii) Regio-selectivity of Cycloaddition between hexa-1,3-diene and Maleic Anhydride
- 03:4603:46, 17 December 2010 diff hist 0 N File:HOMO ENDO TS.png No edit summary current
- 03:4503:45, 17 December 2010 diff hist 0 N File:LUMO endo TS.png No edit summary current
- 03:4203:42, 17 December 2010 diff hist 0 N File:LUMO exo TS.png No edit summary current
- 03:4203:42, 17 December 2010 diff hist 0 N File:HOMO exo TS.png No edit summary current
- 03:4103:41, 17 December 2010 diff hist 0 N File:Exo TS opted.mol No edit summary current
- 03:4103:41, 17 December 2010 diff hist 0 N File:Endo TS opted.mol No edit summary current
- 03:3203:32, 17 December 2010 diff hist +2,186 Rep:Mod:bgasuki →ii) Optimisation of the Transition State
- 03:3003:30, 17 December 2010 diff hist 0 N File:Cbl LUMO of maleic.png No edit summary current
- 03:3003:30, 17 December 2010 diff hist 0 N File:Cbl HOMO of maleic.png No edit summary current
- 03:2603:26, 17 December 2010 diff hist 0 N File:Cbl HOMO of cyclohexadiene.png No edit summary current
- 03:2603:26, 17 December 2010 diff hist 0 N File:Actual HOMO of cyclohexaidne.png No edit summary current
- 03:1903:19, 17 December 2010 diff hist 0 N File:Cbl Maleic anhydride HF opted.mol No edit summary current
- 03:1603:16, 17 December 2010 diff hist 0 N File:Cbl cyclohexadiene HF opted.mol No edit summary current