User contributions for Jas213

11 May 2018

• 11:3111:31, 11 May 2018 diff hist −1 MRD:programmingyay →PES inspection
• 11:2911:29, 11 May 2018 diff hist +440 MRD:programmingyay →Transition State Theory
• 11:2511:25, 11 May 2018 diff hist +1,009 MRD:programmingyay →Reactive and unreactive trajectories
• 11:1711:17, 11 May 2018 diff hist +268 MRD:programmingyay →Dynamics from the transition state region
• 11:1511:15, 11 May 2018 diff hist +196 MRD:programmingyay →MEP

12 February 2016

• 11:3211:32, 12 February 2016 diff hist +66 Rep:Mod:Jas213TS →References
• 11:3211:32, 12 February 2016 diff hist +15 Rep:Mod:Jas213TS →Transition Structures
• 11:3111:31, 12 February 2016 diff hist +6 Rep:Mod:Jas213TS →References
• 11:3011:30, 12 February 2016 diff hist 0 Rep:Mod:Jas213TS →References
• 11:3011:30, 12 February 2016 diff hist +149 Rep:Mod:Jas213TS →Endo and Exo Transition Structure analysis
• 11:2611:26, 12 February 2016 diff hist +138 Rep:Mod:Jas213TS →Calculating and Comparing the Activation Energies
• 11:1911:19, 12 February 2016 diff hist +48 Rep:Mod:Jas213TS →The Cope Rearrangement Tutorial
• 11:1811:18, 12 February 2016 diff hist +994 Rep:Mod:Jas213TS →The Cope Rearrangement Tutorial
• 11:1811:18, 12 February 2016 diff hist −376 Rep:Mod:Jas213TS →Transition Structures
• 11:0711:07, 12 February 2016 diff hist −9 Rep:Mod:Jas213TS →Transition Structures
• 11:0511:05, 12 February 2016 diff hist +11 Rep:Mod:Jas213TS →Limitations
• 11:0411:04, 12 February 2016 diff hist +7 Rep:Mod:Jas213TS →The Regioselectivity of the Diels Alder Reaction
• 11:0311:03, 12 February 2016 diff hist −9 Rep:Mod:Jas213TS →The Regioselectivity of the Diels Alder Reaction
• 11:0311:03, 12 February 2016 diff hist +14 Rep:Mod:Jas213TS →The Regioselectivity of the Diels Alder Reaction
• 11:0211:02, 12 February 2016 diff hist +776 Rep:Mod:Jas213TS →Calculating and Comparing the Activation Energies
• 10:4610:46, 12 February 2016 diff hist −151 Rep:Mod:Jas213TS →Calculating and Comparing the Activation Energies
• 10:4110:41, 12 February 2016 diff hist 0 Rep:Mod:Jas213TS →Calculating and Comparing the Activation Energies
• 10:2210:22, 12 February 2016 diff hist +34 Rep:Mod:Jas213TS →Intrinsic Reaction Coordinate (IRC) method
• 10:2210:22, 12 February 2016 diff hist +34 Rep:Mod:Jas213TS →QST2 method
• 10:2110:21, 12 February 2016 diff hist −37 Rep:Mod:Jas213TS →Frozen Coordinate Method
• 10:2110:21, 12 February 2016 diff hist +71 Rep:Mod:Jas213TS →Frozen Coordinate Method
• 10:2110:21, 12 February 2016 diff hist +34 Rep:Mod:Jas213TS →Calculating the force constants
• 10:1910:19, 12 February 2016 diff hist 0 N File:Gauche 3.log No edit summary current
• 10:1810:18, 12 February 2016 diff hist +22 Rep:Mod:Jas213TS →1,5-Hexadiene (Gauche3 Conformation)
• 10:1610:16, 12 February 2016 diff hist +37 Rep:Mod:Jas213TS →Optimising the Reactants and Products
• 10:1410:14, 12 February 2016 diff hist −43 Rep:Mod:Jas213TS →Calculation of Activation Energies
• 10:1310:13, 12 February 2016 diff hist +8 Rep:Mod:Jas213TS →Calculation of Activation Energies
• 10:1110:11, 12 February 2016 diff hist +148 Rep:Mod:Jas213TS →Calculation of Activation Energies
• 10:0910:09, 12 February 2016 diff hist +34 Rep:Mod:Jas213TS →IRC method
• 10:0910:09, 12 February 2016 diff hist +34 Rep:Mod:Jas213TS →The Regioselectivity of the Diels Alder Reaction
• 10:0010:00, 12 February 2016 diff hist +108 Rep:Mod:Jas213TS →References
• 09:5909:59, 12 February 2016 diff hist +360 Rep:Mod:Jas213TS →Calculating and Comparing the Activation Energies
• 09:4909:49, 12 February 2016 diff hist +6 Rep:Mod:Jas213TS →MO Analysis
• 09:4809:48, 12 February 2016 diff hist +25 Rep:Mod:Jas213TS →Calculating the force constants
• 09:4309:43, 12 February 2016 diff hist −1 Rep:Mod:Jas213TS →Calculation of Activation Energies
• 09:4109:41, 12 February 2016 diff hist 0 Rep:Mod:Jas213TS →1,5-Hexadiene (Anti2 Conformation)
• 09:4009:40, 12 February 2016 diff hist +86 Rep:Mod:Jas213TS No edit summary
• 09:3509:35, 12 February 2016 diff hist +150 Rep:Mod:Jas213TS →The QST2 method
• 09:3409:34, 12 February 2016 diff hist +150 Rep:Mod:Jas213TS →The QST2 method
• 09:1709:17, 12 February 2016 diff hist +115 Rep:Mod:Jas213TS →The QST2 method
• 09:1609:16, 12 February 2016 diff hist +7 Rep:Mod:Jas213TS →The QST2 method
• 08:3808:38, 12 February 2016 diff hist 0 Rep:Mod:Jas213TS →The QST2 method
• 08:3308:33, 12 February 2016 diff hist +94 Rep:Mod:Jas213TS →The QST2 method
• 08:2808:28, 12 February 2016 diff hist +29 Rep:Mod:Jas213TS →The QST2 method
• 08:2608:26, 12 February 2016 diff hist +34 Rep:Mod:Jas213TS →The QST2 method