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User contributions for Sp3815

Results for Sp3815 talk block log uploads logs

A user with 494 edits. Account created on 7 March 2016.

13:2313:23, 4 May 2017 diff hist +24 MRD:sp3815 No edit summary
13:2213:22, 4 May 2017 diff hist +110 MRD:sp3815 →Reactive and unreactive trajectories
13:1313:13, 4 May 2017 diff hist −86 MRD:sp3815 No edit summary
13:0013:00, 4 May 2017 diff hist +2 MRD:sp3815 No edit summary
12:5512:55, 4 May 2017 diff hist +1 MRD:sp3815 →Reactive and unreactive trajectories
12:5412:54, 4 May 2017 diff hist +558 MRD:sp3815 →Reactive and unreactive trajectories

20:2220:22, 3 May 2017 diff hist −21 MRD:sp3815 →Reactive and unreactive trajectories
19:5819:58, 3 May 2017 diff hist +275 MRD:sp3815 No edit summary
19:4619:46, 3 May 2017 diff hist +596 MRD:sp3815 →Initial positions correspond to the final positions of the trajectory, the same final momenta values but with their signs reversed. What do you observe?
19:4119:41, 3 May 2017 diff hist 0 N File:Internuc dist time reverse mom sp3815.jpg No edit summary current
19:3719:37, 3 May 2017 diff hist +396 MRD:sp3815 →Initial positions correspond to the final positions of the trajectory, the same final momenta values but with their signs reversed. What do you observe?
19:3319:33, 3 May 2017 diff hist +191 MRD:sp3815 →Initial positions correspond to the final positions of the trajectory, the same final momenta values but with their signs reversed. What do you observe?
19:2319:23, 3 May 2017 diff hist 0 N File:0.9175 0.1 INTERNUCLAR DISTANCE TIME GRAPH FINAL SP3815.jpg No edit summary current
19:1919:19, 3 May 2017 diff hist 0 N File:INTERNUCLEAR DIST TIME ORI FINAL SP3815.jpg No edit summary current
19:1419:14, 3 May 2017 diff hist +149 MRD:sp3815 →Comment on how the mep and the trajectory you just calculated differ.
19:1019:10, 3 May 2017 diff hist 0 N File:0.9 and 0.001 internuclear momentum against time sp3815.jpg No edit summary current
19:0619:06, 3 May 2017 diff hist +134 MRD:sp3815 No edit summary
19:0419:04, 3 May 2017 diff hist 0 N File:Internuclear mom time normal paramsp3815.jpg No edit summary current
18:5318:53, 3 May 2017 diff hist +39 MRD:sp3815 →Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Internuclear Distances vs Time” screenshot for a relevant trajectory.

16:2516:25, 2 May 2017 diff hist −3 MRD:sp3815 No edit summary
16:2316:23, 2 May 2017 diff hist +2 MRD:sp3815 No edit summary
16:2216:22, 2 May 2017 diff hist +146 MRD:sp3815 No edit summary
16:2116:21, 2 May 2017 diff hist 0 N File:0.9 and 0.01 internuc against time garph finalsp3815.jpg No edit summary current
16:2016:20, 2 May 2017 diff hist +359 MRD:sp3815 No edit summary
16:0216:02, 2 May 2017 diff hist 0 N File:Internuclear distance against time final distsp3815.jpg No edit summary current
15:5215:52, 2 May 2017 diff hist +358 MRD:sp3815 →Comment on how the mep and the trajectory you just calculated differ.
15:3915:39, 2 May 2017 diff hist +26 MRD:sp3815 No edit summary
15:3815:38, 2 May 2017 diff hist 0 N File:Dynamics original perameters sp3815.jpg No edit summary current
15:3815:38, 2 May 2017 diff hist +122 MRD:sp3815 →Comment on how the mep and the trajectory you just calculated differ.
15:3615:36, 2 May 2017 diff hist −28 MRD:sp3815 No edit summary
15:3515:35, 2 May 2017 diff hist 0 N File:Mepsp3815.png No edit summary current
15:3515:35, 2 May 2017 diff hist +229 MRD:sp3815 No edit summary
15:2315:23, 2 May 2017 diff hist −32 MRD:sp3815 No edit summary
15:0915:09, 2 May 2017 diff hist −10 MRD:sp3815 No edit summary
15:0715:07, 2 May 2017 diff hist 0 N File:Surface plot tranbsition state sp3815.jpg No edit summary current
15:0715:07, 2 May 2017 diff hist +160 MRD:sp3815 No edit summary
15:0615:06, 2 May 2017 diff hist +66 MRD:sp3815 No edit summary
15:0415:04, 2 May 2017 diff hist 0 N File:0.9075 INTERNUCLEAR DISTANCE SP3815.jpg No edit summary current
15:0415:04, 2 May 2017 diff hist +469 MRD:sp3815 No edit summary
14:4914:49, 2 May 2017 diff hist 0 N File:0.9176 internuclear distance SP3815.jpg No edit summary current
14:4914:49, 2 May 2017 diff hist +3 MRD:sp3815 No edit summary
14:4614:46, 2 May 2017 diff hist 0 N File:Internulcear distances 0.9176.jpg No edit summary current
14:4514:45, 2 May 2017 diff hist +754 MRD:sp3815 →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.
14:3814:38, 2 May 2017 diff hist +2 MRD:sp3815 →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.
14:3714:37, 2 May 2017 diff hist +112 MRD:sp3815 →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.
14:3314:33, 2 May 2017 diff hist +7 MRD:sp3815 →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.
14:3014:30, 2 May 2017 diff hist +47 MRD:sp3815 No edit summary
14:2914:29, 2 May 2017 diff hist 0 File:Internuclear distance time sp3815.jpg Sp3815 uploaded a new version of File:Internuclear distance time sp3815.jpg current
14:2814:28, 2 May 2017 diff hist 0 N File:Internuclear distance time sp3815.jpg No edit summary
13:5513:55, 2 May 2017 diff hist +599 N MRD:sp3815 Created page with "=== 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 ca..."

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