Jump to content

User contributions for Mak214

Results for Mak214 talk block log uploads logs

A user with 185 edits. Account created on 16 February 2017.

10:0410:04, 23 May 2019 diff hist +359 MRD:dk2016 →Exercise 1: H-H-H
10:0210:02, 23 May 2019 diff hist +102 MRD:dk2016 →Exercise 1: H-H-H
10:0010:00, 23 May 2019 diff hist +103 MRD:dk2016 →Exercise 1: H-H-H
10:0010:00, 23 May 2019 diff hist −1 MRD:dk2016 →Exercise 1: H-H-H
09:5809:58, 23 May 2019 diff hist +12 MRD:dk2016 →Exercise 1: H-H-H
09:5809:58, 23 May 2019 diff hist +2 MRD:dk2016 →Exercise 1: H-H-H
09:5609:56, 23 May 2019 diff hist +678 MRD:dk2016 →Exercise 1: H-H-H
09:4909:49, 23 May 2019 diff hist +188 MRD:qx5117 →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.
09:4609:46, 23 May 2019 diff hist +532 MRD:qx5117 →EXERCISE 2: F - H - H system
09:3709:37, 23 May 2019 diff hist +355 MRD:qx5117 →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?
09:3309:33, 23 May 2019 diff hist +132 MRD:qx5117 →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?
09:3109:31, 23 May 2019 diff hist +203 MRD:qx5117 →Q3: Comment on how the mep and the trajectory you just calculated differ.
09:3009:30, 23 May 2019 diff hist +103 MRD:qx5117 →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.
09:2909:29, 23 May 2019 diff hist +102 MRD:qx5117 →EXERCISE 1: H + H2 system

16:2416:24, 13 May 2019 diff hist +509 MRD:ABR01190874 →Exercise 2 current
16:2016:20, 13 May 2019 diff hist +550 MRD:ABR01190874 →Exercise 1
16:1516:15, 13 May 2019 diff hist +249 MRD:david.tyoember17 →Exercise 2 current
16:1416:14, 13 May 2019 diff hist +264 MRD:david.tyoember17 →Exercise 2
16:1116:11, 13 May 2019 diff hist +193 MRD:david.tyoember17 →Exercise 1
16:1016:10, 13 May 2019 diff hist +127 MRD:david.tyoember17 →Exercise 1
16:0816:08, 13 May 2019 diff hist +1,173 MRD:david.tyoember17 →Exercise 1
15:5615:56, 13 May 2019 diff hist +104 MRD:01327311 →Polanyi's theory current
15:5215:52, 13 May 2019 diff hist +104 MRD:01327311 →Mechanism of the release of energy
15:5015:50, 13 May 2019 diff hist +103 MRD:01327311 →Activation Energy
15:4815:48, 13 May 2019 diff hist +457 Complab sbs17 No edit summary current
14:3314:33, 13 May 2019 diff hist +931 Complab sbs17 No edit summary
14:2114:21, 13 May 2019 diff hist +124 Complab sbs17 No edit summary
14:2114:21, 13 May 2019 diff hist +92 Complab sbs17 No edit summary
14:1914:19, 13 May 2019 diff hist +693 Complab sbs17 No edit summary
14:1914:19, 13 May 2019 diff hist −1 MRD:01327311 →Comparing reaction trajectories calculated for MEP and Dynamic mode
14:1514:15, 13 May 2019 diff hist +311 Complab sbs17 No edit summary
14:1414:14, 13 May 2019 diff hist +302 Complab sbs17 No edit summary
13:5313:53, 13 May 2019 diff hist +113 MRD:01327311 →Locating the transition state
13:5113:51, 13 May 2019 diff hist +187 MRD:01327311 →Determining reaction profile from surface plot
13:4413:44, 13 May 2019 diff hist +114 MRD:01327311 →Transition State Theory
13:2913:29, 13 May 2019 diff hist +664 MRD:01327311 →Comparing reaction trajectories calculated for MEP and Dynamic mode
13:2413:24, 13 May 2019 diff hist +311 MRD:01327311 →Defining the transition state position
13:1513:15, 13 May 2019 diff hist −2 MRD:01327311 No edit summary
13:1513:15, 13 May 2019 diff hist −15 MRD:01327311 No edit summary
13:1513:15, 13 May 2019 diff hist +2 MRD:01327311 No edit summary
13:1513:15, 13 May 2019 diff hist −98 MRD:01327311 No edit summary
13:1413:14, 13 May 2019 diff hist +76 MRD:01327311 No edit summary
13:1313:13, 13 May 2019 diff hist +2 MRD:01327311 No edit summary
13:0813:08, 13 May 2019 diff hist −1 MRD:01327311 No edit summary
13:0713:07, 13 May 2019 diff hist +60 MRD:01327311 No edit summary
13:0713:07, 13 May 2019 diff hist +1 MRD:01327311 No edit summary
13:0713:07, 13 May 2019 diff hist +4 MRD:01327311 No edit summary
13:0613:06, 13 May 2019 diff hist −4 MRD:01327311 No edit summary
13:0513:05, 13 May 2019 diff hist +809 MRD:01327311 No edit summary

14:3414:34, 16 February 2017 diff hist +12 N Maevetestwiki1 Created page with "hello world!" current

Retrieved from "https://chemwiki.ch.ic.ac.uk/wiki/Special:Contributions/Mak214"