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User contributions for Mn1315

Results for Mn1315 talk block log uploads logs

A user with 278 edits. Account created on 27 February 2017.

17:2217:22, 20 May 2019 diff hist +124 MRD:01056483 →Locate the approximate position of the transition state.
17:0117:01, 20 May 2019 diff hist +317 MRD:01056483 No edit summary
16:4516:45, 20 May 2019 diff hist +412 MRD:01056483 →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?
16:3516:35, 20 May 2019 diff hist +82 MRD:01056483 →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?
16:3416:34, 20 May 2019 diff hist +159 MRD:01056483 No edit summary
16:3216:32, 20 May 2019 diff hist 0 N File:MN H+HF.PNG No edit summary current
16:3216:32, 20 May 2019 diff hist 0 N File:MN F+H2.PNG No edit summary current
16:3116:31, 20 May 2019 diff hist +345 MRD:01056483 No edit summary
15:5115:51, 20 May 2019 diff hist +16 MRD:01056483 No edit summary
15:4915:49, 20 May 2019 diff hist +239 MRD:01056483 No edit summary
15:4415:44, 20 May 2019 diff hist +532 MRD:01056483 →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?
15:1015:10, 20 May 2019 diff hist +466 MRD:01056483 No edit summary
14:3814:38, 20 May 2019 diff hist 0 MRD:01056483 No edit summary
14:3714:37, 20 May 2019 diff hist +3 MRD:01056483 No edit summary
14:3614:36, 20 May 2019 diff hist +8 MRD:01056483 No edit summary
14:3514:35, 20 May 2019 diff hist −5 MRD:01056483 No edit summary
14:3414:34, 20 May 2019 diff hist −3 MRD:01056483 No edit summary
14:3214:32, 20 May 2019 diff hist +2 MRD:01056483 No edit summary
14:3114:31, 20 May 2019 diff hist 0 N File:MN figure6.PNG No edit summary current
14:3114:31, 20 May 2019 diff hist 0 N File:MN figure5.PNG No edit summary current
14:3114:31, 20 May 2019 diff hist 0 N File:MN figure4.PNG No edit summary current
14:3114:31, 20 May 2019 diff hist +368 MRD:01056483 No edit summary
14:2614:26, 20 May 2019 diff hist +190 MRD:01056483 No edit summary
14:2514:25, 20 May 2019 diff hist +112 MRD:01056483 No edit summary
14:2314:23, 20 May 2019 diff hist +8 MRD:01056483 No edit summary
14:2114:21, 20 May 2019 diff hist 0 N File:MN description5.PNG No edit summary current
14:2114:21, 20 May 2019 diff hist 0 N File:MN description4.PNG No edit summary current
14:2114:21, 20 May 2019 diff hist 0 N File:MN description3.PNG No edit summary current
14:2114:21, 20 May 2019 diff hist 0 N File:MN description2.PNG No edit summary current
14:2014:20, 20 May 2019 diff hist 0 N File:MN description1.PNG No edit summary current
14:1814:18, 20 May 2019 diff hist 0 File:1.PNG Mn1315 uploaded a new version of File:1.PNG
14:1714:17, 20 May 2019 diff hist +1,154 MRD:01056483 →Complete the table 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?
12:1912:19, 20 May 2019 diff hist −1 MRD:01056483 →Complete the table 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?
12:1912:19, 20 May 2019 diff hist −3 MRD:01056483 No edit summary
12:1712:17, 20 May 2019 diff hist +6 MRD:01056483 No edit summary
12:1612:16, 20 May 2019 diff hist +3 MRD:01056483 No edit summary
12:1612:16, 20 May 2019 diff hist +8 MRD:01056483 No edit summary
12:0612:06, 20 May 2019 diff hist −6 MRD:01056483 →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?
12:0612:06, 20 May 2019 diff hist +919 MRD:01056483 No edit summary
11:5511:55, 20 May 2019 diff hist 0 MRD:01056483 No edit summary
11:2711:27, 20 May 2019 diff hist +12 MRD:01056483 No edit summary
11:2611:26, 20 May 2019 diff hist +62 MRD:01056483 →Comment on how the mep and the trajectory you just calculated differ.
11:1711:17, 20 May 2019 diff hist +1,412 MRD:01056483 No edit summary

21:0621:06, 19 May 2019 diff hist −1 MRD:mmo116 →Exercise 1: H + H2 system current
20:5420:54, 19 May 2019 diff hist 0 MRD:01056483 →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.
20:5420:54, 19 May 2019 diff hist +186 MRD:01056483 No edit summary
20:5320:53, 19 May 2019 diff hist −6 MRD:01056483 No edit summary
20:5320:53, 19 May 2019 diff hist −14 MRD:01056483 No edit summary
20:5220:52, 19 May 2019 diff hist +204 MRD:01056483 No edit summary
20:5120:51, 19 May 2019 diff hist +6 MRD:01056483 No edit summary

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