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User contributions for Hs4018

Results for Hs4018 talk block log uploads logs

A user with 256 edits. Account created on 11 March 2019.

11:0211:02, 22 May 2020 diff hist 0 N File:H2+F 00961729.png No edit summary current
11:0111:01, 22 May 2020 diff hist 0 N File:HF+H 00961729.png No edit summary current

21:3721:37, 21 May 2020 diff hist +86 MRD:hs4018 mrd →Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?
21:3121:31, 21 May 2020 diff hist +552 MRD:hs4018 mrd →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?
21:2121:21, 21 May 2020 diff hist +2,083 MRD:hs4018 mrd →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?
20:5820:58, 21 May 2020 diff hist +1 MRD:hs4018 mrd No edit summary
20:5820:58, 21 May 2020 diff hist +1 MRD:hs4018 mrd →Exercise 1: A H + H2 System
19:5319:53, 21 May 2020 diff hist −819 MRD:hs4018 mrd →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?
19:5119:51, 21 May 2020 diff hist −6 MRD:hs4018 mrd →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.
19:5119:51, 21 May 2020 diff hist −1,156 MRD:hs4018 mrd →Comment on how the mep and the trajectory you just calculated differ.
19:4919:49, 21 May 2020 diff hist +150 MRD:hs4018 mrd No edit summary
19:4519:45, 21 May 2020 diff hist 0 N File:CP6 00961729.png No edit summary current
19:4519:45, 21 May 2020 diff hist 0 N File:CP5 00961729.png No edit summary current
19:4419:44, 21 May 2020 diff hist 0 N File:CP4 00961729.png No edit summary current
19:4419:44, 21 May 2020 diff hist 0 N File:CP3 00961729.png No edit summary current
19:4319:43, 21 May 2020 diff hist 0 N File:CP2.png No edit summary current
19:4219:42, 21 May 2020 diff hist +69 MRD:hs4018 mrd →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?
17:4617:46, 21 May 2020 diff hist +819 MRD:hs4018 mrd →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?
17:1917:19, 21 May 2020 diff hist +405 MRD:hs4018 mrd →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?
17:1717:17, 21 May 2020 diff hist +1,837 MRD:hs4018 mrd →Comment on how the mep and the trajectory you just calculated differ.
16:3216:32, 21 May 2020 diff hist +522 MRD:hs4018 mrd →Molecular Reaction Dynamics: Applications to Triatomic systems
16:2616:26, 21 May 2020 diff hist +24 MRD:hs4018 mrd →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.
16:2016:20, 21 May 2020 diff hist +2 MRD:hs4018 mrd No edit summary
16:1516:15, 21 May 2020 diff hist +255 MRD:hs4018 mrd →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.
16:0716:07, 21 May 2020 diff hist 0 N File:CP 1.png No edit summary current
16:0416:04, 21 May 2020 diff hist 0 N File:INVT Plot 1.png No edit summary current
16:0316:03, 21 May 2020 diff hist +761 MRD:hs4018 mrd →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.
13:1113:11, 21 May 2020 diff hist +589 MRD:hs4018 mrd →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?
12:4712:47, 21 May 2020 diff hist 0 MRD:hs4018 mrd →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.
12:4712:47, 21 May 2020 diff hist +43 MRD:hs4018 mrd →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.
12:4612:46, 21 May 2020 diff hist +47 N File:CP1.png Contour plot showing the TS of a H + H2 system. current
10:5410:54, 21 May 2020 diff hist +164 MRD:hs4018 mrd →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?

21:1421:14, 20 May 2020 diff hist +296 MRD:hs4018 mrd No edit summary

13:1913:19, 19 May 2020 diff hist +202 MRD:hs4018 mrd →Molecular Reaction Dynamics: Applications to Triatomic systems
13:1813:18, 19 May 2020 diff hist +9 MRD:hs4018 mrd →Molecular Reaction Dynamics: Applications to Triatomic systems
13:1813:18, 19 May 2020 diff hist +49 MRD:hs4018 mrd →Molecular Reaction Dynamics: Applications to Triatomic systems
13:0713:07, 19 May 2020 diff hist +7 MRD:hs4018 mrd →Molecular Reaction Dynamics: Applications to Triatomic systems
12:5512:55, 19 May 2020 diff hist +221 MRD:hs4018 mrd →Molecular Reaction Dynamics: Applications to Triatomic systems
11:0711:07, 19 May 2020 diff hist +66 N MRD:hs4018 mrd Created page with "= Molecular Reaction Dynamics: Applications to Triatomic systems ="

14:3214:32, 15 March 2019 diff hist −1 Rep:Mod:HS4018 →H2S Charge Analysis
14:3214:32, 15 March 2019 diff hist −3 Rep:Mod:HS4018 →H2S Vibration Analysis
14:3114:31, 15 March 2019 diff hist 0 Rep:Mod:HS4018 →H2 Vibrational Analysis
14:3014:30, 15 March 2019 diff hist +21 Rep:Mod:HS4018 →H2 Vibrational Analysis
14:2914:29, 15 March 2019 diff hist +1 Rep:Mod:HS4018 →H2 Vibrational Analysis
14:2914:29, 15 March 2019 diff hist 0 Rep:Mod:HS4018 →N2 Vibration Analysis
14:2914:29, 15 March 2019 diff hist 0 Rep:Mod:HS4018 →NH3 Charge Analysis
14:2814:28, 15 March 2019 diff hist +6 Rep:Mod:HS4018 →NH3 Charge Analysis
13:3313:33, 15 March 2019 diff hist +160 Rep:Mod:HS4018 No edit summary
13:3113:31, 15 March 2019 diff hist 0 N File:HS4018 CO OPT.LOG No edit summary current
13:3113:31, 15 March 2019 diff hist +934 Rep:Mod:HS4018 No edit summary

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