Jump to content

User contributions for Sj2814

Results for Sj2814 talk block log uploads logs

A user with 55 edits. Account created on 9 May 2017.

15:3715:37, 12 May 2017 diff hist +414 MRD:sj2814 →Locate the approximate position of the transition state. Tag: Visual edit
15:3315:33, 12 May 2017 diff hist 0 N File:Sj2814 Figure 9.png No edit summary current
15:3315:33, 12 May 2017 diff hist +58 MRD:sj2814 →Classify the F + H2 and H + HF reactions according to their energetics (endothermic or exothermic). How does this relate to the bond strength of the chemical species involved?
15:3215:32, 12 May 2017 diff hist +368 MRD:sj2814 →PES Inspection: Tag: Visual edit
14:5314:53, 12 May 2017 diff hist +4 MRD:sj2814 →Comment on how the mep and the trajectory you just calculated differ. Tag: Visual edit
14:5214:52, 12 May 2017 diff hist 0 N File:Sj2814 Figure 8.png No edit summary current
14:4914:49, 12 May 2017 diff hist 0 File:Figure 8.png Sj2814 uploaded a new version of File:Figure 8.png
14:4614:46, 12 May 2017 diff hist 0 N File:Figure 8.png No edit summary
14:4614:46, 12 May 2017 diff hist +58 MRD:sj2814 →PES Inspection:
14:4414:44, 12 May 2017 diff hist +751 MRD:sj2814 →PES Inspection: Tag: Visual edit
14:4014:40, 12 May 2017 diff hist +445 MRD:sj2814 →Comment on how the mep and the trajectory you just calculated differ. Tag: Visual edit
14:3214:32, 12 May 2017 diff hist +1,271 MRD:sj2814 No edit summary Tag: Visual edit
14:2414:24, 12 May 2017 diff hist 0 N File:Sj2814 Figure 7a.png No edit summary current
14:2414:24, 12 May 2017 diff hist 0 N File:Sj2814 Figure 6a.png No edit summary current
14:2414:24, 12 May 2017 diff hist 0 N File:Sj2814 Figure 5a.png No edit summary current
14:2414:24, 12 May 2017 diff hist 0 N File:Sj2814 Figure 4a.png No edit summary current
14:2414:24, 12 May 2017 diff hist 0 N File:Sj2814 Figure 3a.png No edit summary current
14:2214:22, 12 May 2017 diff hist +236 MRD:sj2814 →Complete the table by adding a column reporting if the trajectory is reactive or unreactive. For each set of initial conditions, provide a screenshot of the trajectory and a small description for what happens along the trajectory.
14:2114:21, 12 May 2017 diff hist +59 MRD:sj2814 →Complete the table by adding a column reporting if the trajectory is reactive or unreactive. For each set of initial conditions, provide a screenshot of the trajectory and a small description for what happens along the trajectory.
14:2014:20, 12 May 2017 diff hist +1 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.
14:2014:20, 12 May 2017 diff hist +13 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.
14:1914:19, 12 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.
13:5313:53, 12 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.
13:5213:52, 12 May 2017 diff hist 0 N File:Figure 3.5.png No edit summary current
13:5113:51, 12 May 2017 diff hist 0 File:Figure 3.png Sj2814 uploaded a new version of File:Figure 3.png current
13:5013:50, 12 May 2017 diff hist 0 N File:Sj2814 Figure 2.png No edit summary current
13:4913:49, 12 May 2017 diff hist +15 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.
13:4713:47, 12 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.
13:4613:46, 12 May 2017 diff hist +75 MRD:sj2814 →Complete the table by adding a column reporting if the trajectory is reactive or unreactive. For each set of initial conditions, provide a screenshot of the trajectory and a small description for what happens along the trajectory. Tag: Visual edit
13:3713:37, 12 May 2017 diff hist 0 MRD:sj2814 No edit summary
13:3313:33, 12 May 2017 diff hist 0 N File:Sj2814 Figure1.png No edit summary current
13:3213:32, 12 May 2017 diff hist +4 MRD:sj2814 No edit summary
08:1308:13, 12 May 2017 diff hist 0 File:Sj2814 Figure 1.png Sj2814 uploaded a new version of File:Sj2814 Figure 1.png current
08:1208:12, 12 May 2017 diff hist +26 MRD:sj2814 No edit summary
08:1008:10, 12 May 2017 diff hist 0 N File:Sj2814 Figure 1.png No edit summary
08:0808:08, 12 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 current
07:4107:41, 12 May 2017 diff hist +780 MRD:sj2814 No edit summary
03:4703:47, 12 May 2017 diff hist +589 MRD:sj2814 →State the main assumptions of Transition State Theory. Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values? Tag: Visual edit
03:4403:44, 12 May 2017 diff hist +207 MRD:sj2814 No edit summary
01:2201:22, 12 May 2017 diff hist +610 MRD:sj2814 →Comment on how the mep and the trajectory you just calculated differ. Tag: Visual edit
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

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

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..."

Retrieved from "https://chemwiki.ch.ic.ac.uk/wiki/Special:Contributions/Sj2814"