User contributions for Bc2116
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18 May 2018
- 14:3514:35, 18 May 2018 diff hist 0 File:1.png Bc2116 uploaded a new version of File:1.png
- 14:2714:27, 18 May 2018 diff hist +136 MRD:bc2116 →Internuclear distance and momentum vs time at large t under MEP calculation
- 14:2514:25, 18 May 2018 diff hist +2 MRD:bc2116 →Transition State Position Estimation
- 14:2414:24, 18 May 2018 diff hist 0 N File:Exercise 1 Internuclear distance to time1.png No edit summary current
- 14:2414:24, 18 May 2018 diff hist 0 File:Exercise 1 Internuclear distance to time.png Bc2116 uploaded a new version of File:Exercise 1 Internuclear distance to time.png current
- 14:2314:23, 18 May 2018 diff hist −1 MRD:bc2116 →Transition State Position Estimation
- 14:2214:22, 18 May 2018 diff hist −59 MRD:bc2116 →Transition State Position Estimation
- 14:2214:22, 18 May 2018 diff hist 0 File:Exercise 1 Internuclear distance to time.png Bc2116 uploaded a new version of File:Exercise 1 Internuclear distance to time.png
- 14:1014:10, 18 May 2018 diff hist −44 MRD:bc2116 →PES Report
- 14:0414:04, 18 May 2018 diff hist −105 MRD:bc2116 →Reactive and Unreactive Trajectories Table
- 13:5413:54, 18 May 2018 diff hist +455 MRD:bc2116 →Trajectories table
- 13:5313:53, 18 May 2018 diff hist +1 MRD:bc2116 →Rajectories table
- 13:5113:51, 18 May 2018 diff hist +221 MRD:bc2116 →Activation energy calculation:
- 13:5113:51, 18 May 2018 diff hist 0 N File:HF internuclear distance vs time.PNG No edit summary current
- 13:5013:50, 18 May 2018 diff hist 0 N File:H2 internuclear distance vs time.PNG No edit summary current
- 13:4913:49, 18 May 2018 diff hist 0 N File:HF potential energy.PNG No edit summary current
- 13:4813:48, 18 May 2018 diff hist 0 N File:H2 potential energy.PNG No edit summary current
- 13:4613:46, 18 May 2018 diff hist +145 MRD:bc2116 →Reactive and Unreactive Trajectories Table
- 13:4613:46, 18 May 2018 diff hist 0 N File:Unreactive trajectory.png No edit summary current
- 13:4513:45, 18 May 2018 diff hist 0 File:Reactive trajectory.png Bc2116 uploaded a new version of File:Reactive trajectory.png current
- 13:3913:39, 18 May 2018 diff hist +87 MRD:bc2116 →Activation energy calculation:
- 13:3913:39, 18 May 2018 diff hist 0 N File:Trajectory table HF.PNG No edit summary current
- 13:3713:37, 18 May 2018 diff hist +8 MRD:bc2116 →Activation energy calculation:
- 13:3713:37, 18 May 2018 diff hist +2 MRD:bc2116 →Activation energy calculation:
- 13:3613:36, 18 May 2018 diff hist +3 MRD:bc2116 →Activation energy calculation:
- 13:3613:36, 18 May 2018 diff hist +1 MRD:bc2116 →Position of transition state
- 13:3613:36, 18 May 2018 diff hist −1 MRD:bc2116 →Position of transition state
- 13:3613:36, 18 May 2018 diff hist +635 MRD:bc2116 No edit summary
- 13:3013:30, 18 May 2018 diff hist −2 MRD:bc2116 →Reactive and Unreactive Trajectories Table
- 13:2913:29, 18 May 2018 diff hist −28 MRD:bc2116 →F + HH_2 and H + HF
- 13:2813:28, 18 May 2018 diff hist +23 MRD:bc2116 →F + HH_2
- 13:2813:28, 18 May 2018 diff hist +3 MRD:bc2116 →Reactive and Unreactive Trajectories Table
- 13:2813:28, 18 May 2018 diff hist +26 MRD:bc2116 →Reactive and Unreactive Trajectories Table
- 13:2613:26, 18 May 2018 diff hist +286 MRD:bc2116 →Reactive and Unreactive Trajectories Table
- 13:2513:25, 18 May 2018 diff hist +93 MRD:bc2116 →MEP calculations with different initial conditions
- 13:2513:25, 18 May 2018 diff hist 0 N File:Exercise 1 momentum table.PNG No edit summary current
- 13:2113:21, 18 May 2018 diff hist +516 MRD:bc2116 →Internuclear distance and momentum vs time at large t under MEP calculation
- 13:1913:19, 18 May 2018 diff hist +86 MRD:bc2116 →MEP and Dynamic Model Comparison
- 13:1713:17, 18 May 2018 diff hist +153 MRD:bc2116 →MEP and Dynamic Model Comparison
17 May 2018
- 22:4222:42, 17 May 2018 diff hist +1 MRD:bc2116 →MEP and Dynamic Model Comparison
- 22:4222:42, 17 May 2018 diff hist +566 MRD:bc2116 →MEP and Dynamic Model Comparison
- 22:4222:42, 17 May 2018 diff hist +70 MRD:bc2116 →MEP and Dynamic Model Comparison
- 22:4022:40, 17 May 2018 diff hist 0 N File:Exercise 1 Dynamic plot.png No edit summary current
- 22:4022:40, 17 May 2018 diff hist 0 N File:Exercise 1 MEP plot.png No edit summary current
- 22:3922:39, 17 May 2018 diff hist +44 MRD:bc2116 →Molecular Reaction Dynamics: Boru Chen
- 22:3822:38, 17 May 2018 diff hist +2 MRD:bc2116 →Transition State Position Estimation
- 22:3822:38, 17 May 2018 diff hist +58 MRD:bc2116 →Transition State Position Estimation
- 22:3722:37, 17 May 2018 diff hist +1 MRD:bc2116 →Transition State Position Estimation
- 22:3622:36, 17 May 2018 diff hist +54 MRD:bc2116 →Transition State Position Estimation
- 22:3622:36, 17 May 2018 diff hist 0 N File:Exercise 1 Internuclear distance to time.png No edit summary