User contributions for Wm1415

22 January 2018

• 22:3822:38, 22 January 2018 diff hist +50,723 N Rep:Wm1415TransitionStatesBackup Created page with "'''This is William Micou's report on the Transition States computational lab, starting Monday 11th December 2017.''' ==Introduction== Transition state analysis is a powerful..."

20 December 2017

• 05:0705:07, 20 December 2017 diff hist +12 Rep:Wm1415TransitionStates →Confirmation of Transition State
• 05:0405:04, 20 December 2017 diff hist +1 Rep:Wm1415TransitionStates →Introduction
• 05:0305:03, 20 December 2017 diff hist −1 Rep:Wm1415TransitionStates →Introduction
• 05:0205:02, 20 December 2017 diff hist −17 Rep:Wm1415TransitionStates →Introduction

19 December 2017

• 06:2806:28, 19 December 2017 diff hist 0 Rep:Wm1415TransitionStates →Introduction
• 06:2706:27, 19 December 2017 diff hist −99 Rep:Wm1415TransitionStates No edit summary
• 06:1706:17, 19 December 2017 diff hist +862 Rep:Wm1415TransitionStates →References
• 06:0006:00, 19 December 2017 diff hist +56 Rep:Wm1415TransitionStates →Energy Profile: Secondary Orbital Interactions
• 05:5805:58, 19 December 2017 diff hist +16 Rep:Wm1415TransitionStatesWorking No edit summary
• 05:5605:56, 19 December 2017 diff hist −24 Rep:Wm1415TransitionStates →Energy Profile: Secondary Orbital Interactions
• 05:5505:55, 19 December 2017 diff hist +155 Rep:Wm1415TransitionStates →References
• 05:4705:47, 19 December 2017 diff hist +12 Rep:Wm1415TransitionStates →Extension: 4π Electrocyclic Ring Closure with Conrotation
• 05:4605:46, 19 December 2017 diff hist +1,391 Rep:Wm1415TransitionStates →Conclusion
• 05:3205:32, 19 December 2017 diff hist +16 Rep:Wm1415TransitionStates No edit summary
• 05:3005:30, 19 December 2017 diff hist +3,611 Rep:Wm1415TransitionStates →Extension
• 05:2905:29, 19 December 2017 diff hist 0 N File:Wm1415 Ext gif.gif No edit summary current
• 05:2805:28, 19 December 2017 diff hist 0 N File:Wm1415 ext Irc path energy.PNG No edit summary current
• 05:2305:23, 19 December 2017 diff hist +3,009 Rep:Wm1415TransitionStatesWorking No edit summary
• 05:1405:14, 19 December 2017 diff hist +111 Rep:Wm1415TransitionStatesWorking No edit summary
• 05:1405:14, 19 December 2017 diff hist 0 N File:Wm1415 EXT TS PM6.LOG No edit summary current
• 05:1205:12, 19 December 2017 diff hist 0 N File:Wm1415 Extension reaction scheme.PNG No edit summary current
• 04:5704:57, 19 December 2017 diff hist +805 Rep:Wm1415TransitionStates →Exercise 3
• 04:4104:41, 19 December 2017 diff hist 0 Rep:Wm1415TransitionStates →Main Fragment: Optimised TS (PM6-level) and IRC Paths
• 04:3104:31, 19 December 2017 diff hist +79 Rep:Wm1415TransitionStates →Exercise 2
• 04:2804:28, 19 December 2017 diff hist +4 Rep:Wm1415TransitionStates No edit summary
• 04:2704:27, 19 December 2017 diff hist −36 Rep:Wm1415TransitionStates →Energy Profile: Secondary Orbital Interactions
• 04:0404:04, 19 December 2017 diff hist +180 Rep:Wm1415TransitionStates →Exercise 2
• 03:5803:58, 19 December 2017 diff hist +93 Rep:Wm1415TransitionStates →MO Diagram
• 03:5503:55, 19 December 2017 diff hist +12 Rep:Wm1415TransitionStates →Endo/Exo IRC Paths
• 03:2703:27, 19 December 2017 diff hist −34 Rep:Wm1415TransitionStates →Confirmation of Transition State
• 03:2603:26, 19 December 2017 diff hist +743 Rep:Wm1415TransitionStates →Orbital Description of the Diels-Alder Reaction
• 02:5902:59, 19 December 2017 diff hist −69 Rep:Wm1415TransitionStates →Orbital Description of the Diels-Alder Reaction
• 02:0002:00, 19 December 2017 diff hist +6 Rep:Wm1415TransitionStates →Confirmation of Transition State
• 01:5901:59, 19 December 2017 diff hist −1 Rep:Wm1415TransitionStates →Confirmation of Transition State
• 01:5901:59, 19 December 2017 diff hist +707 Rep:Wm1415TransitionStates →Exercise 1: Butadiene + Ethene Diels-Alder Reaction
• 01:2801:28, 19 December 2017 diff hist +853 Rep:Wm1415TransitionStates →Methodology
• 00:1100:11, 19 December 2017 diff hist +833 Rep:Wm1415TransitionStates →Methodology

18 December 2017

• 23:5023:50, 18 December 2017 diff hist +2,100 Rep:Wm1415TransitionStates →Introduction
• 22:0622:06, 18 December 2017 diff hist +4 Rep:Wm1415TransitionStates →Endo/Exo IRC Paths
• 22:0622:06, 18 December 2017 diff hist 0 N File:Wm1415 Ex2 exo resized.gif No edit summary current
• 22:0522:05, 18 December 2017 diff hist 0 N File:Wm1415 Ex2 endo resized.gif No edit summary current
• 22:0322:03, 18 December 2017 diff hist 0 Rep:Wm1415TransitionStates →Confirmation of Transition State
• 22:0322:03, 18 December 2017 diff hist 0 N File:Wm1415 Diels alder resized gif.gif No edit summary current
• 21:5721:57, 18 December 2017 diff hist +740 Rep:Wm1415TransitionStates →Reaction Profile
• 20:2820:28, 18 December 2017 diff hist +58 Rep:Wm1415TransitionStates →Reaction Profile
• 20:2020:20, 18 December 2017 diff hist +700 Rep:Wm1415TransitionStates →Reaction Profile
• 20:0320:03, 18 December 2017 diff hist +47 Rep:Wm1415TransitionStates →Reaction Profile
• 20:0220:02, 18 December 2017 diff hist 0 N File:Wm1415 Energy profile ex3.png No edit summary current
• 19:4719:47, 18 December 2017 diff hist +814 Rep:Wm1415TransitionStates →Exercise 3