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User contributions for Wcc14

Results for Wcc14 talk block log uploads logs

A user with 367 edits. Account created on 6 May 2017.

14:4014:40, 8 May 2017 diff hist +2 MRD:wcc14gee →Reactive and Unreactive trajectories
14:3914:39, 8 May 2017 diff hist −7 MRD:wcc14gee →Reactive and Unreactive trajectories
14:3314:33, 8 May 2017 diff hist +86 MRD:wcc14gee →Reactive and Unreactive trajectories
14:3114:31, 8 May 2017 diff hist +83 MRD:wcc14gee →Reactive and Unreactive trajectories
14:2714:27, 8 May 2017 diff hist +2 MRD:wcc14gee →Difference between the mep and the calculated trajectory
14:2614:26, 8 May 2017 diff hist +81 MRD:wcc14gee →Reactive and Unreactive trajectories
14:2414:24, 8 May 2017 diff hist +918 MRD:wcc14gee →Main assumptions of Transition State Theory
14:2114:21, 8 May 2017 diff hist +5 MRD:wcc14gee →Reactive and Unreactive trajectories
14:2014:20, 8 May 2017 diff hist +200 MRD:wcc14gee →Reactive and Unreactive trajectories
14:1614:16, 8 May 2017 diff hist 0 N File:Ru05 wcc14gee.PNG No edit summary current
14:1614:16, 8 May 2017 diff hist 0 N File:Ru04 wcc14gee.PNG No edit summary current
14:1614:16, 8 May 2017 diff hist 0 N File:Ru03 wcc14gee.PNG No edit summary current
14:1614:16, 8 May 2017 diff hist 0 N File:Ru02 wcc14gee.PNG No edit summary current
14:1614:16, 8 May 2017 diff hist 0 N File:Ru01 wcc14gee.PNG No edit summary current
14:1314:13, 8 May 2017 diff hist −6 MRD:wcc14gee →Difference between the mep and the calculated trajectory
14:1214:12, 8 May 2017 diff hist 0 MRD:wcc14gee →Molecular Reaction Dynamics
14:1114:11, 8 May 2017 diff hist −8 MRD:wcc14gee →Molecular Reaction Dynamics
14:1014:10, 8 May 2017 diff hist +61 MRD:wcc14gee →Molecular Reaction Dynamics
14:0814:08, 8 May 2017 diff hist +183 MRD:wcc14gee →Difference between the mep and the calculated trajectory
13:5313:53, 8 May 2017 diff hist +261 MRD:wcc14gee →Locating transition state position (rts)
13:4313:43, 8 May 2017 diff hist +28 MRD:wcc14gee →Reactive and Unreactive trajectories
13:4313:43, 8 May 2017 diff hist 0 MRD:wcc14gee →Reactive and Unreactive trajectories
13:4113:41, 8 May 2017 diff hist +245 MRD:wcc14gee →Reactive and Unreactive trajectories
13:3813:38, 8 May 2017 diff hist −30 MRD:wcc14gee →Reactive and Unreactive trajectories
13:3613:36, 8 May 2017 diff hist +27 MRD:wcc14gee →Reactive and Unreactive trajectories
13:2913:29, 8 May 2017 diff hist +2 MRD:wcc14gee No edit summary

19:1019:10, 7 May 2017 diff hist +2 MRD:wcc14gee →Reactive / Unreactive trajectories
18:5218:52, 7 May 2017 diff hist +1 MRD:wcc14gee →Reactive / Unreactive trajectories
18:5118:51, 7 May 2017 diff hist +373 MRD:wcc14gee →Reactive / Unreactive trajectories
18:3518:35, 7 May 2017 diff hist −16 MRD:wcc14gee →What would change if initial conditions are changed to r1 = rts and r2 = rts+0.01?
18:3418:34, 7 May 2017 diff hist +179 MRD:wcc14gee →What would change if initial conditions are changed to r1 = rts and r2 = rts+0.01?
18:3018:30, 7 May 2017 diff hist +278 MRD:wcc14gee →Difference between the mep and the calculated trajectory
17:3817:38, 7 May 2017 diff hist +5 MRD:wcc14gee →Locating transition state position (rts)
17:3317:33, 7 May 2017 diff hist 0 N File:Ts distance vs time wcc14gee.PNG No edit summary current
17:3317:33, 7 May 2017 diff hist 0 N File:MEP surface plot wcc14gee.PNG No edit summary current
17:3317:33, 7 May 2017 diff hist 0 N File:Initial distance vs time wcc14gee.PNG No edit summary current
17:3317:33, 7 May 2017 diff hist 0 N File:H + H2 wcc14 gee.png No edit summary current
17:3317:33, 7 May 2017 diff hist 0 N File:Dynamics surface plot wcc14gee.PNG No edit summary current
17:1317:13, 7 May 2017 diff hist −6 MRD:wcc14gee →Difference between the mep and the calculated trajectory
17:1117:11, 7 May 2017 diff hist +154 MRD:wcc14gee →Difference between the mep and the calculated trajectory
17:0717:07, 7 May 2017 diff hist +136 MRD:wcc14gee →Difference between the mep and the calculated trajectory
16:4416:44, 7 May 2017 diff hist −8 MRD:wcc14gee →Locating transition state position (rts)
16:4216:42, 7 May 2017 diff hist −1 MRD:wcc14gee →Locating transition state position (rts)
16:3416:34, 7 May 2017 diff hist +1,109 MRD:wcc14gee →Locating transition state position (rts)
15:2815:28, 7 May 2017 diff hist +9 MRD:wcc14gee →Transition state position (rts)
15:1415:14, 7 May 2017 diff hist +621 MRD:wcc14gee →What value does the total gradient of the potential energy surface have at a minimum and at a transition structure? Briefly explain how minima and transition structures can be distinguished using the curvature of the potential energy surface.
13:4713:47, 7 May 2017 diff hist +332 MRD:wcc14gee →EXERCISE 1: H + H2 system
13:3313:33, 7 May 2017 diff hist +253 MRD:wcc14gee →EXERCISE 1: H + H2 system
13:2913:29, 7 May 2017 diff hist +80 MRD:wcc14gee No edit summary

17:5417:54, 6 May 2017 diff hist +31 N MRD:wcc14gee Created page with "= Molecular Reaction Dynamics ="

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