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User contributions for Jas213

Results for Jas213 talk block log uploads logs

A user with 1,215 edits. Account created on 23 November 2015.

21:3321:33, 28 May 2018 diff hist +245 MRD:01235058220518 →Reaction Trajectories: Reactive and Unreactive
21:2921:29, 28 May 2018 diff hist +161 MRD:01235058220518 →Dynamics and Minimum Energy Pathway, MEP
21:2821:28, 28 May 2018 diff hist +75 MRD:01235058220518 →Dynamics and Minimum Energy Pathway, MEP
21:2721:27, 28 May 2018 diff hist +127 MRD:01235058220518 →Dynamics and Minimum Energy Pathway, MEP
21:2621:26, 28 May 2018 diff hist +189 MRD:01235058220518 →Potential Energy Surface, Transition State and Minima
21:2321:23, 28 May 2018 diff hist +176 MRD:Kemicompwiki →Reactive and Unreactive Trajectories current
21:2121:21, 28 May 2018 diff hist +244 MRD:Kemicompwiki →Reactive and Unreactive Trajectories
21:1921:19, 28 May 2018 diff hist +239 MRD:Kemicompwiki →Looking at momenta in HF + H
21:1821:18, 28 May 2018 diff hist +365 MRD:Kemicompwiki →Discuss how the distribution of energy between different modes (translation and vibration) affect the efficiency of the reaction, and how this is influenced by the position of the transition state.
21:1321:13, 28 May 2018 diff hist +148 MRD:Kemicompwiki →Reporting the activation energy for the reaction
21:1221:12, 28 May 2018 diff hist +192 MRD:Kemicompwiki →Locating the transition state
21:0921:09, 28 May 2018 diff hist +389 MRD:Kemicompwiki →Exercise 1
20:5420:54, 28 May 2018 diff hist +291 MRD:ccaarrooll →Activation Energies current
20:5020:50, 28 May 2018 diff hist +154 MRD:ccaarrooll →Reactive and Unreactive Trajectories
20:4720:47, 28 May 2018 diff hist +205 MRD:ccaarrooll →Reactive and Unreactive Trajectories
20:4020:40, 28 May 2018 diff hist −110 Sam Young Reaction Dynamics →Q5 - Efficiency of Reaction current
20:3920:39, 28 May 2018 diff hist +48 Sam Young Reaction Dynamics →Q5 - Efficiency of Reaction
20:3820:38, 28 May 2018 diff hist +143 Sam Young Reaction Dynamics →Q5 - Efficiency of Reaction
20:3720:37, 28 May 2018 diff hist +386 Sam Young Reaction Dynamics →Q5 - Efficiency of Reaction
20:3220:32, 28 May 2018 diff hist +158 Sam Young Reaction Dynamics →Q3 - Activation Energy
20:3120:31, 28 May 2018 diff hist +34 Sam Young Reaction Dynamics →Q3 - Activation Energy
20:3020:30, 28 May 2018 diff hist +161 Sam Young Reaction Dynamics →Q3 - Activation Energy
20:2920:29, 28 May 2018 diff hist +125 Sam Young Reaction Dynamics →Q2 - Position of the Transition State
20:2720:27, 28 May 2018 diff hist +223 Sam Young Reaction Dynamics →Q4 - Reactive and Unreactive Trajectories
20:2720:27, 28 May 2018 diff hist +217 Sam Young Reaction Dynamics →Q5 - Transition State Theory
20:1120:11, 28 May 2018 diff hist +262 MRD:01075185 →Reaction dynamics F-H-H system current
20:0920:09, 28 May 2018 diff hist +142 MRD:01075185 →Reaction dynamics F-H-H system
20:0520:05, 28 May 2018 diff hist +180 MRD:01075185 →H + HF reaction system investigation
20:0120:01, 28 May 2018 diff hist +158 MRD:01075185 /* Reactive and unreactive trajectories: 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 s...
19:5919:59, 28 May 2018 diff hist +507 MRD:01075185 /* Reactive and unreactive trajectories: 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 s...
19:5719:57, 28 May 2018 diff hist +220 MRD:01075185 →Comment on how the mep and the trajectory you just calculated differ
19:5319:53, 28 May 2018 diff hist +233 MRD:01075185 /* 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 potential en...
19:4219:42, 28 May 2018 diff hist +180 MRD:CET161 →Polanyi's Empirical Rules current
19:4019:40, 28 May 2018 diff hist +168 MRD:CET161 →Polanyi's Empirical Rules
19:3119:31, 28 May 2018 diff hist +312 MRD:CET161 →Reactive and Unreactive trajectories
19:2819:28, 28 May 2018 diff hist +320 MRD:CET161 →Mep and dynamic calculation types
19:1919:19, 28 May 2018 diff hist +256 MRD:mlw115RXNDy →Polanyi's Empirical Rules current
19:1719:17, 28 May 2018 diff hist +194 MRD:mlw115RXNDy →F+ H2
19:1119:11, 28 May 2018 diff hist +431 MRD:mlw115RXNDy →Calculating Activation Energy
19:0819:08, 28 May 2018 diff hist +303 MRD:mlw115RXNDy →Determining Transition State
19:0719:07, 28 May 2018 diff hist +251 MRD:mlw115RXNDy →Transition State Theory
19:0519:05, 28 May 2018 diff hist +250 MRD:mlw115RXNDy →Determining Reactivity
19:0219:02, 28 May 2018 diff hist +286 MRD:mlw115RXNDy →Determining Reactivity
19:0019:00, 28 May 2018 diff hist +123 MRD:mlw115RXNDy →Estimating Transition State Position
18:5518:55, 28 May 2018 diff hist +324 MRD:lp1916 →Question 10 current
18:5218:52, 28 May 2018 diff hist +155 MRD:lp1916 →Energy calculation
18:5018:50, 28 May 2018 diff hist +445 MRD:lp1916 →Question 7
18:4618:46, 28 May 2018 diff hist +490 MRD:lp1916 →Question 4
18:4318:43, 28 May 2018 diff hist +229 MRD:lp1916 →Question 4
18:4318:43, 28 May 2018 diff hist +179 MRD:lp1916 →Question 3

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