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Results for Wgw11 talk block log uploads logs

A user with 553 edits. Account created on 6 October 2013.

16:1816:18, 6 December 2013 diff hist 0 Rep:Mod:WGW1993phys3 →What effects have been neglected in these calculations of Diels Alder transition states?
16:1416:14, 6 December 2013 diff hist +3 Rep:Mod:WGW1993phys3 →Calculation of activation energies
16:1216:12, 6 December 2013 diff hist −1 Rep:Mod:WGW1993phys3 →Optimization of the transition states
16:0916:09, 6 December 2013 diff hist +1 Rep:Mod:WGW1993phys3 →Optimization of the transition states
16:0816:08, 6 December 2013 diff hist +1 Rep:Mod:WGW1993phys3 →Optimization of the transition states
16:0316:03, 6 December 2013 diff hist +4 Rep:Mod:WGW1993phys3 →Calculation of activation energies
16:0016:00, 6 December 2013 diff hist +13 Rep:Mod:WGW1993phys3 →Optimization of the transition state
15:5915:59, 6 December 2013 diff hist +1 Rep:Mod:WGW1993phys3 →Optimization of the transition state
15:5715:57, 6 December 2013 diff hist +6 Rep:Mod:WGW1993phys3 →Optimization of the transition state
15:5715:57, 6 December 2013 diff hist +9 Rep:Mod:WGW1993phys3 →Optimization of the transition state
15:4115:41, 6 December 2013 diff hist +22 Rep:Mod:WGW1993phys3 →Introduction
15:4015:40, 6 December 2013 diff hist +3 Rep:Mod:WGW1993phys3 →Introduction
15:3915:39, 6 December 2013 diff hist −9 Rep:Mod:WGW1993phys3 →Introduction
15:3815:38, 6 December 2013 diff hist −1 Rep:Mod:WGW1993phys3 →Calculation of the Activation Energies
15:3515:35, 6 December 2013 diff hist +1 Rep:Mod:WGW1993phys3 →Re-optimization of the Transition Structures using B3LYP/6-31G* Theory
15:3015:30, 6 December 2013 diff hist −2 Rep:Mod:WGW1993phys3 →The QST3 method
15:2715:27, 6 December 2013 diff hist −2 Rep:Mod:WGW1993phys3 →The QST2 method
15:2515:25, 6 December 2013 diff hist +3 Rep:Mod:WGW1993phys3 →Freezing the reaction coordinate
15:2415:24, 6 December 2013 diff hist +3 Rep:Mod:WGW1993phys3 →Freezing the reaction coordinate
15:2115:21, 6 December 2013 diff hist +9 Rep:Mod:WGW1993phys3 →Optimizing the Chair and Boat Transition State Structures
15:2015:20, 6 December 2013 diff hist +8 Rep:Mod:WGW1993phys3 →Optimization of the anti2 conformer - comparison of HF/3-21G and B3LYP/6-31G* theory
15:1815:18, 6 December 2013 diff hist −31 Rep:Mod:WGW1993phys3 →Optimization of the anti2 conformer - comparison of HF/3-21G and B3LYP/6-31G* theory
15:1615:16, 6 December 2013 diff hist +10 Rep:Mod:WGW1993phys3 →Optimization of the anti2 conformer - comparison of HF/3-21G and B3LYP/6-31G* theory
15:1515:15, 6 December 2013 diff hist +11 Rep:Mod:WGW1993phys3 →Optimizing the Reactants and Products
15:1415:14, 6 December 2013 diff hist −5 Rep:Mod:WGW1993phys3 →Finding the lowest energy conformer - anti or gauche?
15:1115:11, 6 December 2013 diff hist −9 Rep:Mod:WGW1993phys3 →Finding the lowest energy conformer - anti or gauche?
15:1015:10, 6 December 2013 diff hist −3 Rep:Mod:WGW1993phys3 →Finding the lowest energy conformer - anti or gauche?
15:0915:09, 6 December 2013 diff hist +9 Rep:Mod:WGW1993phys3 →Finding the lowest energy conformer - anti or gauche?
14:1514:15, 6 December 2013 diff hist +54 Rep:Mod:WGW1993phys3 →Optimization of ethene
14:1514:15, 6 December 2013 diff hist 0 N File:Ethene LUMO wgw.jpg No edit summary current
14:1514:15, 6 December 2013 diff hist 0 N File:Ethene homo WGW.jpg No edit summary current

23:1623:16, 4 December 2013 diff hist +1,848 Rep:Mod:WGW1993phys3 →What effects have been neglected in these calculations of Diels Alder transition states?
22:4122:41, 4 December 2013 diff hist +10 Rep:Mod:WGW1993phys3 →The Diels-Alder Cycloaddition
22:4022:40, 4 December 2013 diff hist +333 Rep:Mod:WGW1993phys3 →The Diels-Alder Cycloaddition
22:3522:35, 4 December 2013 diff hist +834 Rep:Mod:WGW1993phys3 →What effects have been neglected in these calculations of Diels Alder transition states?
21:5021:50, 4 December 2013 diff hist +54 Rep:Mod:WGW1993phys3 →What effects have been neglected in these calculations of Diels Alder transition states?
21:2721:27, 4 December 2013 diff hist −1 Rep:Mod:WGW1993phys3 →Calculation of activation energies
21:2621:26, 4 December 2013 diff hist +4 Rep:Mod:WGW1993phys3 →Calculation of activation energies
21:2521:25, 4 December 2013 diff hist +539 Rep:Mod:WGW1993phys3 →Calculation of activation energies
21:1721:17, 4 December 2013 diff hist +532 Rep:Mod:WGW1993phys3 →Calculation of activation energies
18:4218:42, 4 December 2013 diff hist +459 Rep:Mod:WGW1993phys3 →Optimization of the transition states
18:4118:41, 4 December 2013 diff hist 0 N File:Steric distance endo ts.jpg No edit summary current
18:4118:41, 4 December 2013 diff hist 0 N File:Steric distance exo ts.jpg No edit summary current
18:3218:32, 4 December 2013 diff hist +20 Rep:Mod:WGW1993phys3 →The Cycloaddition of Cyclohexa-1,3-diene and Maleic Anhydride
18:3218:32, 4 December 2013 diff hist −4 Rep:Mod:WGW1993phys3 →The Cycloaddition of Cyclohexa-1,3-diene and Maleic Anhydride
18:3118:31, 4 December 2013 diff hist −33 Rep:Mod:WGW1993phys3 →The Cycloaddition of Cyclohexa-1,3-diene and Maleic Anhydride
18:3018:30, 4 December 2013 diff hist +60 Rep:Mod:WGW1993phys3 →The Cycloaddition of Cyclohexa-1,3-diene and Maleic Anhydride
18:2818:28, 4 December 2013 diff hist +3,059 Rep:Mod:WGW1993phys3 →Optimization of the transition states
18:2718:27, 4 December 2013 diff hist 0 N File:Calc 10b - imaginary freq.gif No edit summary current
18:2718:27, 4 December 2013 diff hist 0 N File:Calc 9b - imaginary freq.gif No edit summary current

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