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User contributions for Rk2918

Results for Rk2918 talk block log uploads logs

A user with 90 edits. Account created on 15 May 2019.

14:4914:49, 3 June 2019 diff hist +602 MRD:Jsr3217 →Question 5: Discuss how the distribution of energy between different modes (translation and vibration) affect the efficiency of the reaction for the reaction HF + H -> F + H2, and how this is influenced by the position of the transition state. current
14:4314:43, 3 June 2019 diff hist +287 MRD:Jsr3217 →Question 3: Report the activation energy for both reactions.
14:4114:41, 3 June 2019 diff hist +136 MRD:Jsr3217 →Question 2: Locate the approximate position of the transition state.
14:3614:36, 3 June 2019 diff hist +194 MRD:Jsr3217 →Question 5: 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?
14:3414:34, 3 June 2019 diff hist +308 MRD:Jsr3217 /* Question 4: Complete the table above by adding the total energy, whether the trajectory is reactive or unreactive, and provide a plot of the trajectory and a small description for what happens along the trajectory. What can you conclude from the tab...
14:3214:32, 3 June 2019 diff hist +387 MRD:Jsr3217 →Question 3: Comment on how the MEP and the trajectory you just calculated differ.
14:2814:28, 3 June 2019 diff hist +20 MRD:Jsr3217 →Question 1: On a potential energy surface diagram, how is the transition state mathematically defined? How can the transition state be identified, and how can it be distinguished from a local minimum of the potential energy surface?
14:2814:28, 3 June 2019 diff hist −85 MRD:Jsr3217 →Question 1: On a potential energy surface diagram, how is the transition state mathematically defined? How can the transition state be identified, and how can it be distinguished from a local minimum of the potential energy surface?
14:2714:27, 3 June 2019 diff hist −3 MRD:Jsr3217 →Question 1: On a potential energy surface diagram, how is the transition state mathematically defined? How can the transition state be identified, and how can it be distinguished from a local minimum of the potential energy surface?
14:2614:26, 3 June 2019 diff hist +284 MRD:Jsr3217 →Question 1: On a potential energy surface diagram, how is the transition state mathematically defined? How can the transition state be identified, and how can it be distinguished from a local minimum of the potential energy surface?
14:2314:23, 3 June 2019 diff hist +426 MRD:Jsr3217 →Question 1: On a potential energy surface diagram, how is the transition state mathematically defined? How can the transition state be identified, and how can it be distinguished from a local minimum of the potential energy surface?
12:3712:37, 3 June 2019 diff hist +147 Rrp17 →Distribution of energy between different modes current
12:3312:33, 3 June 2019 diff hist +336 Rrp17 →Assumptions of Transition State Theory
12:3312:33, 3 June 2019 diff hist +267 Rrp17 →Reactive and nonreactive trajectories
12:3112:31, 3 June 2019 diff hist +536 Rrp17 →Minimum energy path and trajectory
12:2912:29, 3 June 2019 diff hist −2 Rrp17 →EXERCISE 1: H + H2 system
12:2912:29, 3 June 2019 diff hist +140 Rrp17 →Transition state position
12:2812:28, 3 June 2019 diff hist −2 Rrp17 →How is the transition state defined?
12:2812:28, 3 June 2019 diff hist +465 Rrp17 →How is the transition state defined?
12:2512:25, 3 June 2019 diff hist +302 Rrp17 →EXERCISE 1: H + H2 system
12:2412:24, 3 June 2019 diff hist +95 013366322 →Q9 - 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. current
12:1012:10, 3 June 2019 diff hist +682 013366322 →Q9 - 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.
12:0212:02, 3 June 2019 diff hist +231 013366322 →Q8 - In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. Explain how this could be confirmed experimentally.
12:0112:01, 3 June 2019 diff hist +157 013366322 →Q7 - Report the activation energy for both reactions.
12:0012:00, 3 June 2019 diff hist +103 013366322 →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?
11:5911:59, 3 June 2019 diff hist +456 013366322 →Q4 - Complete the table above by adding the total energy, whether the trajectory is reactive or unreactive, and provide a plot of the trajectory and a small description for what happens along the trajectory. What can you conclude from the table?
11:5411:54, 3 June 2019 diff hist +169 013366322 →Q3 - Comment on how the MEP and the trajectory you just calculated differ.
11:5011:50, 3 June 2019 diff hist +148 013366322 →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.
11:4711:47, 3 June 2019 diff hist +441 013366322 →Q1 - On a potential energy surface diagram, how is the transition state mathematically defined? How can the transition state be identified, and how can it be distinguished from a local minimum of the potential energy surface?

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