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User contributions for Hym18

Results for Hym18 talk block log uploads logs

A user with 214 edits. Account created on 18 March 2019.

17:1017:10, 15 May 2020 diff hist −241 MRD:report 01507455 No edit summary Tag: Visual edit

19:1119:11, 14 May 2020 diff hist +423 MRD:report 01507455 No edit summary Tag: Visual edit
19:0419:04, 14 May 2020 diff hist +161 MRD:report 01507455 No edit summary Tag: Visual edit
19:0019:00, 14 May 2020 diff hist 0 N File:Momenta vs time graph 01507455.png No edit summary current
18:5818:58, 14 May 2020 diff hist +316 MRD:report 01507455 No edit summary Tag: Visual edit
18:5418:54, 14 May 2020 diff hist 0 N File:PE vs Time (H2 + F -- HF + H, 179 pm start).png No edit summary current
18:5318:53, 14 May 2020 diff hist 0 N File:PE vs Time (H + HF -- H2 + F, 180 pm start) 01507455.png No edit summary current
18:5018:50, 14 May 2020 diff hist +181 MRD:report 01507455 No edit summary Tag: Visual edit
18:4818:48, 14 May 2020 diff hist −57 MRD:report 01507455 No edit summary Tag: Visual edit
18:4818:48, 14 May 2020 diff hist 0 N File:Screenshot 2020-05-15 at 02.47.03.png No edit summary current
18:4318:43, 14 May 2020 diff hist 0 N File:Screenshot 2020-05-15 at 02.42.31.png No edit summary current
18:2518:25, 14 May 2020 diff hist +42 MRD:report 01507455 No edit summary Tag: Visual edit
18:1518:15, 14 May 2020 diff hist 0 N File:Screenshot 2020-05-15 at 02.13.55.png No edit summary current
18:1218:12, 14 May 2020 diff hist −1,349 MRD:report 01507455 No edit summary Tag: Visual edit
18:0118:01, 14 May 2020 diff hist +5 MRD:report 01507455 →EXERCISE 1: H + H2 system Tag: Visual edit
16:4616:46, 14 May 2020 diff hist +273 MRD:report 01507455 No edit summary Tag: Visual edit
16:3116:31, 14 May 2020 diff hist −14 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 Tag: Visual edit
16:2816:28, 14 May 2020 diff hist −515 MRD:report 01507455 →Reaction dynamics Tag: Visual edit
15:2515:25, 14 May 2020 diff hist −101 MRD:report 01507455 →Report the activation energy for both reactions. Tag: Visual edit
15:1015:10, 14 May 2020 diff hist +16 MRD:report 01507455 No edit summary Tag: Visual edit
13:1513:15, 14 May 2020 diff hist 0 MRD:report 01507455 →Locate the approximate position of the transition state. Tag: Visual edit
07:5507:55, 14 May 2020 diff hist −397 MRD:report 01507455 No edit summary Tag: Visual edit
06:4606:46, 14 May 2020 diff hist +266 MRD:report 01507455 →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. Tag: Visual edit
06:4006:40, 14 May 2020 diff hist +445 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? Tag: Visual edit
06:2006:20, 14 May 2020 diff hist −118 MRD:report 01507455 →Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values? Tag: Visual edit

17:5317:53, 12 May 2020 diff hist +3,103 MRD:report 01507455 No edit summary Tag: Visual edit
17:5017:50, 12 May 2020 diff hist +55 MRD:report 01507455 →Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values? Tag: Visual edit
17:4917:49, 12 May 2020 diff hist +764 MRD:report 01507455 →Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values? Tag: Visual edit
17:2317:23, 12 May 2020 diff hist +1,363 MRD:report 01507455 No edit summary Tag: Visual edit
16:5616:56, 12 May 2020 diff hist +172 MRD:report 01507455 No edit summary Tag: Visual edit
16:5216:52, 12 May 2020 diff hist −108 MRD:report 01507455 No edit summary Tag: Visual edit
16:5016:50, 12 May 2020 diff hist +19 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 reactive or unreactive, and pro * Tag: Visual edit
16:4716:47, 12 May 2020 diff hist +203 MRD:report 01507455 No edit summary Tag: Visual edit
16:3816:38, 12 May 2020 diff hist +94 MRD:report 01507455 No edit summary Tag: Visual edit
16:3616:36, 12 May 2020 diff hist 0 N File:Trajectory p = -5.1 and -10.6 01507455.png No edit summary current
16:3516:35, 12 May 2020 diff hist 0 N File:Trajectory p = -5.1 and -10.1 01507455.png No edit summary current
16:3416:34, 12 May 2020 diff hist 0 N File:Trajectory p = -3.1 and -5.1 01507455.png No edit summary current
16:3416:34, 12 May 2020 diff hist 0 N File:Trajectory p = -3.1 and -4.1 01507455.png No edit summary current
16:3316:33, 12 May 2020 diff hist 0 N File:Trajectory p = -2.56 and -5.1 01507455.png No edit summary current
16:3016:30, 12 May 2020 diff hist +346 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 reactive or unreactive, and pro * Tag: Visual edit
16:2716:27, 12 May 2020 diff hist +422 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 reactive or unreactive, and pro * Tag: Visual edit
16:2016:20, 12 May 2020 diff hist +342 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 reactive or unreactive, and pro * Tag: Visual edit
16:0716:07, 12 May 2020 diff hist +1,110 MRD:report 01507455 →- Setup a calculation where the initial positions correspond to the final positions of the trajectory you calculated above, the same final momenta values but with their signs reversed. What do you observe? Tag: Visual edit
15:5515:55, 12 May 2020 diff hist +1,011 MRD:report 01507455 No edit summary Tag: Visual edit

16:5916:59, 11 May 2020 diff hist +8 MRD:report 01507455 No edit summary
16:5816:58, 11 May 2020 diff hist −12 MRD:report 01507455 No edit summary
16:5716:57, 11 May 2020 diff hist +6 MRD:report 01507455 No edit summary
16:5616:56, 11 May 2020 diff hist +6 MRD:report 01507455 No edit summary
16:5516:55, 11 May 2020 diff hist 0 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.
16:4716:47, 11 May 2020 diff hist −19 MRD:report 01507455 No edit summary

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