User contributions for Cah12

18 January 2016

• 15:1015:10, 18 January 2016 diff hist 0 N File:CAH.Velocity-Verlet Algorithm Graph.PNG No edit summary current
• 11:5811:58, 18 January 2016 diff hist +24 N Rep:Cah12ls Created page with "===Liquid Simulations==="

20 November 2015

• 11:2611:26, 20 November 2015 diff hist +19 Rep:Mod:Cah12 →Ethylene and Cis-Butadiene
• 11:1811:18, 20 November 2015 diff hist +4 Rep:Mod:Cah12 →Ethylene and Cis-Butadiene
• 11:1611:16, 20 November 2015 diff hist +1 Rep:Mod:Cah12 →Chair Optimisation: Hartree Fock
• 11:1511:15, 20 November 2015 diff hist −7 Rep:Mod:Cah12 →The Cope Rearrangement
• 11:1311:13, 20 November 2015 diff hist −11 Rep:Mod:Cah12 →Conclusion
• 11:0811:08, 20 November 2015 diff hist +17 Rep:Mod:Cah12 →Ethylene and Cis-Butadiene
• 11:0411:04, 20 November 2015 diff hist −2 Rep:Mod:Cah12 →Ethylene and Cis-Butadiene
• 11:0211:02, 20 November 2015 diff hist −5 Rep:Mod:Cah12 →Chair Optimisation: Frozen Co-ordinate
• 10:5910:59, 20 November 2015 diff hist −20 Rep:Mod:Cah12 →Activation Energies of the Transition Structures
• 10:5710:57, 20 November 2015 diff hist −1 Rep:Mod:Cah12 →Activation Energies of the Transition Structures
• 10:5610:56, 20 November 2015 diff hist −20 Rep:Mod:Cah12 →Intrinsic Reaction Co-ordinate
• 10:5210:52, 20 November 2015 diff hist −3 Rep:Mod:Cah12 →Optimising the "Chair" and "Boat" Transition Structures
• 10:5010:50, 20 November 2015 diff hist −1 Rep:Mod:Cah12 →Optimising the "Chair" and "Boat" Transition Structures
• 10:4910:49, 20 November 2015 diff hist +4 Rep:Mod:Cah12 →Frequency Analysis
• 10:4810:48, 20 November 2015 diff hist +109 Rep:Mod:Cah12 →Frequency Analysis
• 10:4310:43, 20 November 2015 diff hist +5 Rep:Mod:Cah12 →Comparing HF/3-21G and B3LYP/6-31G*
• 10:4210:42, 20 November 2015 diff hist 0 Rep:Mod:Cah12 →Optimising conformers of 1,5-hexadiene
• 10:4010:40, 20 November 2015 diff hist −1 Rep:Mod:Cah12 →Transition States
• 10:3910:39, 20 November 2015 diff hist +12 Rep:Mod:Cah12 →Transition States
• 10:3810:38, 20 November 2015 diff hist −38 Rep:Mod:Cah12 →Transition States
• 10:3610:36, 20 November 2015 diff hist −2 Rep:Mod:Cah12 →Ethylene and Cis-Butadiene
• 10:3510:35, 20 November 2015 diff hist +221 Rep:Mod:Cah12 →Ethylene and Cis-Butadiene
• 10:2810:28, 20 November 2015 diff hist +2 Rep:Mod:Cah12 →Activation Energies of the Transition Structures
• 10:2610:26, 20 November 2015 diff hist +261 Rep:Mod:Cah12 →Conclusion
• 10:1910:19, 20 November 2015 diff hist +468 Rep:Mod:Cah12 →Conclusion
• 10:0310:03, 20 November 2015 diff hist −1 Rep:Mod:Cah12 →Cyclohexa-1,3-diene and Maleic Anhydride
• 09:5909:59, 20 November 2015 diff hist +154 Rep:Mod:Cah12 →Cyclohexa-1,3-diene and Maleic Anhydride
• 09:4709:47, 20 November 2015 diff hist −12 Rep:Mod:Cah12 →Cyclohexa-1,3-diene and Maleic Anhydride
• 09:4209:42, 20 November 2015 diff hist +212 Rep:Mod:Cah12 →Cyclohexa-1,3-diene and Maleic Anhydride
• 09:3309:33, 20 November 2015 diff hist +700 Rep:Mod:Cah12 →The Diels-Alder Cycloaddition
• 08:4608:46, 20 November 2015 diff hist −165 Rep:Mod:Cah12 →The Diels Alder Cycloaddition
• 08:0308:03, 20 November 2015 diff hist +87 Rep:Mod:Cah12 →Ethylene and Cis - Butadiene
• 07:4707:47, 20 November 2015 diff hist −1 Rep:Mod:Cah12 →Activation Energies of the Transition Structures
• 07:1407:14, 20 November 2015 diff hist +937 Rep:Mod:Cah12 →Activation Energies of the Transition Structures

19 November 2015

• 23:4623:46, 19 November 2015 diff hist +209 Rep:Mod:Cah12 →The Diels Alder Cycloaddition
• 23:3723:37, 19 November 2015 diff hist 0 Rep:Mod:Cah12 →Activation Energies of the Transition Structures
• 23:2923:29, 19 November 2015 diff hist +927 Rep:Mod:Cah12 →Activation Energies of the Transition Structures
• 23:0423:04, 19 November 2015 diff hist −183 Rep:Mod:Cah12 →Activation Energies of the Transition Structures
• 22:5322:53, 19 November 2015 diff hist −6 Rep:Mod:Cah12 →Intrinsic Reaction Co-ordinate
• 22:5122:51, 19 November 2015 diff hist +30 Rep:Mod:Cah12 →Intrinsic Reaction Co-ordinate
• 22:5022:50, 19 November 2015 diff hist +449 Rep:Mod:Cah12 →Intrinsic Reaction Co-ordinate
• 22:1922:19, 19 November 2015 diff hist −2 Rep:Mod:Cah12 →Intrinsic Reaction Co-ordinate
• 22:1922:19, 19 November 2015 diff hist −10 Rep:Mod:Cah12 →Intrinsic Reaction Co-ordinate Method
• 22:1622:16, 19 November 2015 diff hist +6 Rep:Mod:Cah12 →Boat Optimisation: QST2 Method
• 22:1522:15, 19 November 2015 diff hist +207 Rep:Mod:Cah12 →Boat Optimisation: QST2 Method
• 22:0922:09, 19 November 2015 diff hist +47 Rep:Mod:Cah12 →Boat Optimisation: QST2 Method
• 22:0622:06, 19 November 2015 diff hist +34 Rep:Mod:Cah12 →Boat Optimisation: QST2 Method
• 22:0022:00, 19 November 2015 diff hist 0 Rep:Mod:Cah12 →Chair Optimisation: Frozen Co-ordinate