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User contributions for Rs6817

Results for Rs6817 talk block log uploads logs

A user with 241 edits. Account created on 7 February 2019.

14:4514:45, 28 May 2020 diff hist +426 MRD:T01574856 →Question 5
14:4314:43, 28 May 2020 diff hist +352 MRD:T01574856 →Question 4
14:4014:40, 28 May 2020 diff hist +343 MRD:T01574856 →Question 3
14:3614:36, 28 May 2020 diff hist +161 MRD:T01574856 →Question 2
14:3614:36, 28 May 2020 diff hist +252 MRD:T01574856 →Question 1
14:3314:33, 28 May 2020 diff hist +248 MRD:T01574856 →Question 5
14:3114:31, 28 May 2020 diff hist +253 MRD:T01574856 →Question 4
14:3014:30, 28 May 2020 diff hist +274 MRD:T01574856 →Question 3
14:2914:29, 28 May 2020 diff hist +351 MRD:T01574856 →Question 2
14:2614:26, 28 May 2020 diff hist +256 MRD:T01574856 →Question 1
14:1514:15, 28 May 2020 diff hist +307 MRD:report 01507455 /* The cases studied are an illustration of Polanyi's empirical rules. 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... current
14:1414:14, 28 May 2020 diff hist +216 MRD:report 01507455 /* Identify a set of initial conditions that results in a reactive trajectory for the F + H2, and look at the “Animation” and “Momenta vs Time”. In light of the fact that energy is conserved, discuss the mechanism of release of the reaction ene...
14:1214:12, 28 May 2020 diff hist +222 MRD:report 01507455 →Report the activation energy for both reactions.
14:1014:10, 28 May 2020 diff hist +144 MRD:report 01507455 →By inspecting the potential energy surfaces, 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?
14:1014:10, 28 May 2020 diff hist +250 MRD:report 01507455 →Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?
14:0814:08, 28 May 2020 diff hist +193 MRD:report 01507455 /* For the initial positions r1 = 74 pm and r2 = 200 pm, run trajectories with the following momenta combination and complete the table. Complete the table below by adding the total energy, whether the trajectory is reacti...
14:0514:05, 28 May 2020 diff hist +509 MRD:report 01507455 →EXERCISE 1: H + H2 system
14:0314:03, 28 May 2020 diff hist +215 MRD:report 01507455 →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.
13:5913:59, 28 May 2020 diff hist +113 MRD:report 01507455 →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?
13:5213:52, 28 May 2020 diff hist +333 01564233wikireport →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
13:3313:33, 28 May 2020 diff hist +190 01564233wikireport →Bibiliography
13:3313:33, 28 May 2020 diff hist +150 01564233wikireport →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
13:3013:30, 28 May 2020 diff hist +202 01564233wikireport →Report the activation energy for both reactions
13:2913:29, 28 May 2020 diff hist +182 01564233wikireport →Locate the approximate position of the transition state.
13:2113:21, 28 May 2020 diff hist +213 01564233wikireport →Transition State Theory
13:1913:19, 28 May 2020 diff hist +357 01564233wikireport →Reactive and unreactive trajectories
13:1613:16, 28 May 2020 diff hist +209 01564233wikireport →How do the mep and the trajectory calculated differ
13:1413:14, 28 May 2020 diff hist +319 01564233wikireport →Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Inter-nuclear Distances vs Time” plot for a relevant trajectory.
13:1213:12, 28 May 2020 diff hist +191 01564233wikireport →Transition State
13:0213:02, 28 May 2020 diff hist +236 MRD:01556808 →Energy Types current
13:0013:00, 28 May 2020 diff hist +129 MRD:01556808 →Reaction Dynamics
12:5712:57, 28 May 2020 diff hist −122 MRD:01556808 →Activation Energy
12:5612:56, 28 May 2020 diff hist +323 MRD:01556808 →PES inspection

16:4916:49, 27 May 2020 diff hist −46 MRD:01556808 →Transition State Theory
16:4916:49, 27 May 2020 diff hist +443 MRD:01556808 →Reactive and Unreactive Trajectories
16:4316:43, 27 May 2020 diff hist +352 MRD:01556808 →Trajectories from r1 = rts+δ, r2 = rts
16:3816:38, 27 May 2020 diff hist +77 MRD:01556808 →Trajectories from r1 = r2: locating the transition state
16:3416:34, 27 May 2020 diff hist +80 MRD:01556808 →Dynamics from the transition state region
16:2816:28, 27 May 2020 diff hist +820 MRD:et2118 →Exercise 2: F - H - H System current
16:0816:08, 27 May 2020 diff hist +578 MRD:et2118 →Exercise 1: H + H2 System
15:5915:59, 27 May 2020 diff hist +60 MRD:et2118 →Exercise 1: H + H2 System
15:5715:57, 27 May 2020 diff hist +272 MRD:et2118 →Exercise 1: H + H2 System
15:5515:55, 27 May 2020 diff hist −10 MRD:et2118 →Exercise 1: H + H2 System
15:5415:54, 27 May 2020 diff hist +54 MRD:et2118 →Exercise 1: H + H2 System
15:5315:53, 27 May 2020 diff hist +159 MRD:et2118 →Exercise 1: H + H2 System

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