User contributions for Bl1718
Appearance
22 May 2020
- 10:2610:26, 22 May 2020 diff hist +236 MRD:Bl1718 →Transition State Theory
- 10:2310:23, 22 May 2020 diff hist +128 MRD:Bl1718 →Reaction dynamics
- 10:2210:22, 22 May 2020 diff hist +100 MRD:Bl1718 →Reaction dynamics
- 10:1810:18, 22 May 2020 diff hist −1 MRD:Bl1718 →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
- 10:1610:16, 22 May 2020 diff hist 0 MRD:Bl1718 →Reaction dynamics
- 10:1510:15, 22 May 2020 diff hist +194 MRD:Bl1718 →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
- 10:0910:09, 22 May 2020 diff hist +413 MRD:Bl1718 →Reaction dynamics
- 09:5909:59, 22 May 2020 diff hist 0 N File:Bl1718 14.png No edit summary current
- 09:3209:32, 22 May 2020 diff hist +369 MRD:Bl1718 →Reaction dynamics
- 09:2809:28, 22 May 2020 diff hist 0 N File:Bl1718 13.png No edit summary current
- 09:2709:27, 22 May 2020 diff hist 0 N File:Bl1718 12.png No edit summary current
- 09:1609:16, 22 May 2020 diff hist 0 N File:Animation18.png No edit summary current
- 09:1609:16, 22 May 2020 diff hist 0 N File:Animation17.png No edit summary current
- 09:1609:16, 22 May 2020 diff hist 0 N File:Animation16.png No edit summary current
- 09:1609:16, 22 May 2020 diff hist 0 N File:Animation15.png No edit summary current
- 09:1509:15, 22 May 2020 diff hist 0 N File:Bl1718 11.png No edit summary current
- 09:0409:04, 22 May 2020 diff hist +1,277 MRD:Bl1718 →Reaction dynamics
- 06:2406:24, 22 May 2020 diff hist +1,142 MRD:Bl1718 →Reaction dynamics
- 06:0706:07, 22 May 2020 diff hist +106 MRD:Bl1718 →Reaction dynamics
- 06:0406:04, 22 May 2020 diff hist 0 N File:Animation14bl1718.png No edit summary current
- 05:4605:46, 22 May 2020 diff hist +310 MRD:Bl1718 →Exercise 2: F-H-H system
- 05:3805:38, 22 May 2020 diff hist 0 N File:Bl1718 9.png No edit summary current
- 05:3805:38, 22 May 2020 diff hist 0 N File:Bl1718 8.png No edit summary current
- 05:2605:26, 22 May 2020 diff hist −1 MRD:Bl1718 →Locate the approximate position of the transition state
21 May 2020
- 15:4915:49, 21 May 2020 diff hist +198 MRD:Bl1718 No edit summary Tag: Visual edit
- 15:4615:46, 21 May 2020 diff hist +241 MRD:Bl1718 No edit summary
- 15:3215:32, 21 May 2020 diff hist +158 MRD:Bl1718 →Locate the approximate position of the transition state
- 15:3015:30, 21 May 2020 diff hist +227 MRD:Bl1718 →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
- 15:2515:25, 21 May 2020 diff hist +35 MRD:Bl1718 →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?
- 15:2415:24, 21 May 2020 diff hist +36 MRD:Bl1718 →Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values? Tag: Visual edit
- 15:1915:19, 21 May 2020 diff hist +2 MRD:Bl1718 →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?
- 15:1515:15, 21 May 2020 diff hist +354 MRD:Bl1718 →Comment on how the mep and the trajectory you just calculated differ
- 15:0215:02, 21 May 2020 diff hist +14 MRD:Bl1718 →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
- 15:0115:01, 21 May 2020 diff hist −54 MRD:Bl1718 No edit summary
- 15:0015:00, 21 May 2020 diff hist +662 MRD:Bl1718 No edit summary
- 14:5414:54, 21 May 2020 diff hist 0 N File:Bl1718 7.png No edit summary current
- 14:5414:54, 21 May 2020 diff hist 0 N File:Bl1718 6.png No edit summary current
- 14:5414:54, 21 May 2020 diff hist 0 N File:Bl1718 5.png No edit summary current
- 14:5414:54, 21 May 2020 diff hist 0 N File:Bl1718 4.png No edit summary current
- 14:5314:53, 21 May 2020 diff hist 0 N File:Bl1718 3.png No edit summary current
- 14:5314:53, 21 May 2020 diff hist 0 N File:Bl1718 2.png No edit summary current
- 14:5314:53, 21 May 2020 diff hist 0 N File:Bl1718 1.png No edit summary current
- 14:1914:19, 21 May 2020 diff hist −2 MRD:Bl1718 →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
- 14:1914:19, 21 May 2020 diff hist +14 MRD:Bl1718 No edit summary
- 14:1614:16, 21 May 2020 diff hist +52 MRD:Bl1718 No edit summary
- 14:1514:15, 21 May 2020 diff hist +191 MRD:Bl1718 →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
- 14:1114:11, 21 May 2020 diff hist 0 N File:Setting1bl1718.png No edit summary current
- 14:1014:10, 21 May 2020 diff hist +111 MRD:Bl1718 →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
- 13:4713:47, 21 May 2020 diff hist +132 MRD:Bl1718 →Trajectories from r1 = r2: locating the transition state Tag: Visual edit
- 13:4213:42, 21 May 2020 diff hist +1 MRD:Bl1718 →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?