User contributions for Sj2814
12 May 2017
- 00:5800:58, 12 May 2017 diff hist +387 MRD:sj2814 →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. Tag: Visual edit
11 May 2017
- 22:4722:47, 11 May 2017 diff hist +51 MRD:sj2814 →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. Tag: Visual edit
- 22:3522:35, 11 May 2017 diff hist 0 File:Estimate of Transition State Position.png Sj2814 uploaded a new version of File:Estimate of Transition State Position.png
- 22:3422:34, 11 May 2017 diff hist −6 MRD:sj2814 →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. Tag: Visual edit
- 22:3422:34, 11 May 2017 diff hist 0 MRD:sj2814 →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. Tag: Visual edit
- 22:3322:33, 11 May 2017 diff hist −6 MRD:sj2814 No edit summary Tag: Visual edit
- 22:3322:33, 11 May 2017 diff hist +649 MRD:sj2814 →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. Tag: Visual edit
- 21:4021:40, 11 May 2017 diff hist +602 MRD:sj2814 No edit summary Tag: Visual edit
- 21:3821:38, 11 May 2017 diff hist 0 N File:Estimate of Transition State Position.png No edit summary
10 May 2017
- 16:0916:09, 10 May 2017 diff hist +357 N MRD:sj2814 Created page with "== Molecular Reaction Dynamics: Application to Triatomic Systems == === Exercise 1: H + H <sub>2</sub> system === What value does the total gradient of the potential energy s..."