User contributions for Gc2109

17 February 2012

• 16:3016:30, 17 February 2012 diff hist +57 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Introduction
• 16:2916:29, 17 February 2012 diff hist +59 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Introduction
• 16:2116:21, 17 February 2012 diff hist +52 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Comparison of Transition State Structures
• 16:2016:20, 17 February 2012 diff hist −6 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →The Diels-Alder Cycloaddition
• 16:1916:19, 17 February 2012 diff hist +88 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →The Diels-Alder Cycloaddition
• 16:1616:16, 17 February 2012 diff hist −18 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimisation of 1,5-Hexadiene
• 16:1516:15, 17 February 2012 diff hist +138 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimisation of 1,5-Hexadiene
• 16:1316:13, 17 February 2012 diff hist +94 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →IRC Analysis of the Cyclohexadiene and Maleic Anhydride Cycloaddition
• 16:1216:12, 17 February 2012 diff hist +188 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimisation of the Transition State for the Cyclohexadiene and Maleic Anhydride Cycloaddition
• 16:0916:09, 17 February 2012 diff hist +188 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimisation of the Reactants, Cyclohexadiene and Maleic Anhydride
• 16:0716:07, 17 February 2012 diff hist +48 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →IRC Analysis of the Butadiene + Ethene Cycloaddition
• 16:0716:07, 17 February 2012 diff hist +94 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimisation of the Transition State for the Ethene + Butadiene Cycloaddition
• 16:0516:05, 17 February 2012 diff hist +188 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimisation of the Reactants, Ethene and Butadiene
• 15:5115:51, 17 February 2012 diff hist +94 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Analyses of Activation Energies
• 15:4915:49, 17 February 2012 diff hist +48 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →(3)Re-run the IRC calculation with Force Constants calculated at each step
• 15:4815:48, 17 February 2012 diff hist +191 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →IRC for the Chair Transition State
• 15:4415:44, 17 February 2012 diff hist +142 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimising the Chair TS
• 15:3115:31, 17 February 2012 diff hist +935 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Comparison of Product Energies
• 15:2415:24, 17 February 2012 diff hist +433 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Future Work
• 15:2115:21, 17 February 2012 diff hist +467 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Future Work
• 15:1715:17, 17 February 2012 diff hist +381 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Possible Improvements to the Experiment
• 14:5414:54, 17 February 2012 diff hist +210 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Summary of Results from the Optimisation of the Chair and Boat Transition States
• 14:4714:47, 17 February 2012 diff hist +580 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Conclusions from Cope rearrangement
• 14:4214:42, 17 February 2012 diff hist +249 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Analyses of Activation Energies
• 14:2514:25, 17 February 2012 diff hist +5 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →(1)New Optimisation on the Final IRC geometry
• 14:1514:15, 17 February 2012 diff hist −1 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →(1)New Optimisation on the Final IRC geometry
• 14:1414:14, 17 February 2012 diff hist +162 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimisation of 1,5-Hexadiene
• 14:0614:06, 17 February 2012 diff hist +355 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimisation of 1,5-Hexadiene
• 13:2413:24, 17 February 2012 diff hist +487 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →IRC Analysis of the Cyclohexadiene and Maleic Anhydride Cycloaddition
• 13:1413:14, 17 February 2012 diff hist +1 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) No edit summary
• 13:1313:13, 17 February 2012 diff hist +141 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Comparison of Product Energies
• 13:1113:11, 17 February 2012 diff hist +214 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Comparison of Activation Energies
• 13:0413:04, 17 February 2012 diff hist −1 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Comparison of Activation Energies
• 12:5812:58, 17 February 2012 diff hist +1,091 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimisation of the Transition State for the Cyclohexadiene and Maleic Anhydride Cycloaddition
• 12:4712:47, 17 February 2012 diff hist +231 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Optimisation of the Transition State for the Cyclohexadiene and Maleic Anhydride Cycloaddition
• 12:3612:36, 17 February 2012 diff hist +229 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Comparison of Transition State Structures
• 12:2812:28, 17 February 2012 diff hist −188 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Comparison of Transition State Structures
• 12:2712:27, 17 February 2012 diff hist +861 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Comparison of Transition State Structures
• 12:0212:02, 17 February 2012 diff hist +63 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Analyses of Activation Energies
• 11:5511:55, 17 February 2012 diff hist +75 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Comparison of Transition State Structures
• 11:2811:28, 17 February 2012 diff hist +20 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Analyses of Activation Energies
• 11:2611:26, 17 February 2012 diff hist +26 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →==
• 11:2511:25, 17 February 2012 diff hist +27 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →==
• 11:2511:25, 17 February 2012 diff hist +29 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →==
• 11:1911:19, 17 February 2012 diff hist 0 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Analyses of Activation Energies
• 11:1811:18, 17 February 2012 diff hist +20 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Analyses of Activation Energies
• 11:1711:17, 17 February 2012 diff hist +13 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Analyses of Activation Energies
• 11:1411:14, 17 February 2012 diff hist +7 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Analyses of Activation Energies
• 11:1011:10, 17 February 2012 diff hist −4 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Analyses of Activation Energies
• 11:0811:08, 17 February 2012 diff hist +645 Rep:3rd Year Computational Chemistry: Module 3 (gc2109) →Analyses of Activation Energies