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User contributions for Yw7216

Results for Yw7216 talk block log uploads logs

A user with 268 edits. Account created on 20 February 2017.

12:5812:58, 24 May 2018 diff hist +337 MRD:yw7216 →Q5: State what are 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?

17:3817:38, 22 May 2018 diff hist +217 MRD:yw7216 No edit summary
17:0717:07, 22 May 2018 diff hist −215 MRD:yw7216 /* Q4: Complete the table by adding a column with the total energy, and another column reporting if the trajectory is reactive or unreactive. For each set of initial conditions, provide a plot of the trajectory and a small description for what happens...
16:5516:55, 22 May 2018 diff hist +2,046 MRD:yw7216 /* Q4: Complete the table by adding a column with the total energy, and another column reporting if the trajectory is reactive or unreactive. For each set of initial conditions, provide a plot of the trajectory and a small description for what happens...
16:5516:55, 22 May 2018 diff hist 0 N File:2.5-5.2-yw7216.PNG No edit summary current
16:5416:54, 22 May 2018 diff hist 0 N File:2.5-5.0-yw7216.PNG No edit summary current
16:5416:54, 22 May 2018 diff hist 0 N File:1.5-2.5-yw7216.PNG No edit summary current
16:5316:53, 22 May 2018 diff hist 0 N File:1.5-2.0-yw7216.PNG No edit summary current
16:5316:53, 22 May 2018 diff hist 0 N File:1.25-2.5-yw7216.PNG No edit summary current
16:3016:30, 22 May 2018 diff hist +282 MRD:yw7216 No edit summary
16:2616:26, 22 May 2018 diff hist +50 MRD:yw7216 →Q3 : Comment on how the mep and the trajectory you just calculated differ.
16:2016:20, 22 May 2018 diff hist +41 MRD:yw7216 →Q3 : Comment on how the mep and the trajectory you just calculated differ.
16:1616:16, 22 May 2018 diff hist +27 MRD:yw7216 →Q2 : Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Internuclear Distances vs Time” plot for a relevant trajectory.
16:1216:12, 22 May 2018 diff hist +243 MRD:yw7216 No edit summary
16:0516:05, 22 May 2018 diff hist +228 MRD:yw7216 No edit summary
16:0416:04, 22 May 2018 diff hist −183 MRD:yw7216 →Q3 : Comment on how the mep and the trajectory you just calculated differ.
16:0216:02, 22 May 2018 diff hist 0 File:Dynamics-yw7216.PNG Yw7216 uploaded a new version of File:Dynamics-yw7216.PNG current
16:0116:01, 22 May 2018 diff hist +183 MRD:yw7216 No edit summary
16:0016:00, 22 May 2018 diff hist +47 MRD:yw7216 →Q3 : Comment on how the mep and the trajectory you just calculated differ.
16:0016:00, 22 May 2018 diff hist 0 N File:Dynamics-yw7216.PNG No edit summary
15:5915:59, 22 May 2018 diff hist 0 N File:Mep-yw7216.PNG No edit summary current
15:5915:59, 22 May 2018 diff hist +86 MRD:yw7216 No edit summary
15:3015:30, 22 May 2018 diff hist +45 MRD:yw7216 →Q2 : Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Internuclear Distances vs Time” plot for a relevant trajectory.
15:2915:29, 22 May 2018 diff hist +43 MRD:yw7216 →Q2 : Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Internuclear Distances vs Time” plot for a relevant trajectory.
15:2615:26, 22 May 2018 diff hist +4 MRD:yw7216 →Q2 : Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Internuclear Distances vs Time” plot for a relevant trajectory.
15:2615:26, 22 May 2018 diff hist +390 MRD:yw7216 →Q2 : Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Internuclear Distances vs Time” plot for a relevant trajectory.
15:2515:25, 22 May 2018 diff hist 0 File:Transition-position-yw7216.PNG Yw7216 uploaded a new version of File:Transition-position-yw7216.PNG current
15:2415:24, 22 May 2018 diff hist 0 File:Testing-transition-position-yw7216.PNG Yw7216 uploaded a new version of File:Testing-transition-position-yw7216.PNG current
15:1615:16, 22 May 2018 diff hist −1 MRD:yw7216 →Q2 : Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Internuclear Distances vs Time” plot for a relevant trajectory.
15:1615:16, 22 May 2018 diff hist +10 MRD:yw7216 →Q2 : Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Internuclear Distances vs Time” plot for a relevant trajectory. Tag: Visual edit
15:1515:15, 22 May 2018 diff hist +188 MRD:yw7216 →Q2 : Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Internuclear Distances vs Time” plot for a relevant trajectory.
15:1415:14, 22 May 2018 diff hist 0 N File:Transition-position-yw7216.PNG No edit summary
15:1315:13, 22 May 2018 diff hist 0 N File:Testing-transition-position-yw7216.PNG No edit summary
15:1215:12, 22 May 2018 diff hist +3 MRD:yw7216 →Q2 : Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Internuclear Distances vs Time” plot for a relevant trajectory.
15:1215:12, 22 May 2018 diff hist 0 MRD:yw7216 →Q2 : Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Internuclear Distances vs Time” plot for a relevant trajectory.
15:1215:12, 22 May 2018 diff hist +20 MRD:yw7216 →Q2 : Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Internuclear Distances vs Time” plot for a relevant trajectory. Tag: Visual edit
15:0815:08, 22 May 2018 diff hist −2 MRD:yw7216 →Q2 : Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Internuclear Distances vs Time” plot for a relevant trajectory.
15:0715:07, 22 May 2018 diff hist +150 MRD:yw7216 →Q2 : Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Internuclear Distances vs Time” plot for a relevant trajectory.
15:0315:03, 22 May 2018 diff hist +1 MRD:yw7216 →Q2 : Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Internuclear Distances vs Time” plot for a relevant trajectory.
15:0215:02, 22 May 2018 diff hist −2 MRD:yw7216 →Q2 : Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Internuclear Distances vs Time” plot for a relevant trajectory.
15:0215:02, 22 May 2018 diff hist +87 MRD:yw7216 →Q2 : Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Internuclear Distances vs Time” plot for a relevant trajectory.
15:0115:01, 22 May 2018 diff hist 0 N File:Zoom-distance-vs-time-0.915-yw7216.PNG No edit summary current
15:0115:01, 22 May 2018 diff hist +2 MRD:yw7216 →Q2 : Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Internuclear Distances vs Time” plot for a relevant trajectory.
15:0115:01, 22 May 2018 diff hist +65 MRD:yw7216 →Q2 : Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Internuclear Distances vs Time” plot for a relevant trajectory.
14:5814:58, 22 May 2018 diff hist +53 MRD:yw7216 No edit summary
14:5814:58, 22 May 2018 diff hist 0 N File:Distance-vs-time-original 0.915-yw7216.PNG No edit summary current
14:4214:42, 22 May 2018 diff hist +199 MRD:yw7216 No edit summary
14:1514:15, 22 May 2018 diff hist +1 MRD:yw7216 /* Q1 : What value do the different components of the 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 potenti...
14:1514:15, 22 May 2018 diff hist +99 MRD:yw7216 →Exercise 1
14:1414:14, 22 May 2018 diff hist +10 MRD:yw7216 →Exercise 1

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