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User contributions for Hb918

Results for Hb918 talk block log uploads logs

A user with 312 edits. Account created on 18 March 2019.

16:4216:42, 7 May 2020 diff hist +86 MRD:HMB01532415 →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?
16:4216:42, 7 May 2020 diff hist 0 N File:Hb918Saddlepointmin.png No edit summary current
16:4116:41, 7 May 2020 diff hist 0 N File:Hb918Saddlepointmax.png No edit summary current
16:4016:40, 7 May 2020 diff hist −144 MRD:HMB01532415 →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.
16:3916:39, 7 May 2020 diff hist +87 MRD:HMB01532415 →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.
16:3816:38, 7 May 2020 diff hist +155 MRD:HMB01532415 →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.
16:3416:34, 7 May 2020 diff hist 0 N File:Hb918TSR100.png No edit summary current
16:3116:31, 7 May 2020 diff hist +1 MRD:HMB01532415 →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.
16:3016:30, 7 May 2020 diff hist +24 MRD:HMB01532415 →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.
16:2916:29, 7 May 2020 diff hist −1 MRD:HMB01532415 →Exercise 1: H + H2 System
16:2816:28, 7 May 2020 diff hist +112 MRD:HMB01532415 →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.
16:2716:27, 7 May 2020 diff hist 0 N File:Hb918TSR91.png No edit summary current
16:2616:26, 7 May 2020 diff hist 0 N File:Hb918TSR80.png No edit summary current
15:5815:58, 7 May 2020 diff hist +706 MRD:HMB01532415 →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.
15:5015:50, 7 May 2020 diff hist +2 MRD:HMB01532415 →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?
15:4915:49, 7 May 2020 diff hist +332 MRD:HMB01532415 →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?
15:3815:38, 7 May 2020 diff hist 0 N File:Hb918ExoendoFHH.png No edit summary current
13:5313:53, 7 May 2020 diff hist +152 MRD:HMB01532415 →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.
12:2012:20, 7 May 2020 diff hist +61 MRD:HMB01532415 →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.

23:4923:49, 4 May 2020 diff hist +20 MRD:HMB01532415 No edit summary
23:4423:44, 4 May 2020 diff hist +4 MRD:HMB01532415 →Locate the approximate position of the transition state.
18:4618:46, 4 May 2020 diff hist +430 MRD:HMB01532415 →Exercise 2: F - H - H System
17:1017:10, 4 May 2020 diff hist +1 MRD:HMB01532415 No edit summary
17:0717:07, 4 May 2020 diff hist −90 MRD:HMB01532415 →Locate the approximate position of the transition state.
17:0317:03, 4 May 2020 diff hist +927 MRD:HMB01532415 →Exercise 2: F - H - H System
16:4516:45, 4 May 2020 diff hist +572 MRD:HMB01532415 No edit summary
16:4416:44, 4 May 2020 diff hist 0 N File:Hb918SurfaceplotH2F.png No edit summary current
16:1416:14, 4 May 2020 diff hist +153 MRD:HMB01532415 No edit summary
16:0016:00, 4 May 2020 diff hist +41 MRD:HMB01532415 →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?
15:5715:57, 4 May 2020 diff hist +105 MRD:HMB01532415 →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?
15:5615:56, 4 May 2020 diff hist 0 N File:Hb918Trajectory3.png No edit summary current
15:5615:56, 4 May 2020 diff hist 0 N File:Hb918Trajectory2.png No edit summary current
15:5415:54, 4 May 2020 diff hist 0 File:Trajectory2.png Hb918 uploaded a new version of File:Trajectory2.png current
15:5115:51, 4 May 2020 diff hist 0 N File:Hb918Trajectory4.png No edit summary current
15:4615:46, 4 May 2020 diff hist 0 N File:Hb918Trajectory5.png No edit summary current
15:4515:45, 4 May 2020 diff hist +35 MRD:HMB01532415 →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?
15:3815:38, 4 May 2020 diff hist +317 MRD:HMB01532415 →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?
15:3515:35, 4 May 2020 diff hist +1,028 MRD:HMB01532415 →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?
15:1315:13, 4 May 2020 diff hist +107 MRD:HMB01532415 No edit summary
15:0315:03, 4 May 2020 diff hist 0 N File:Hb918Trajectory1.png No edit summary current
14:4914:49, 4 May 2020 diff hist +69 MRD:HMB01532415 No edit summary

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