User contributions for Mmo116
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11 May 2018
- 16:5916:59, 11 May 2018 diff hist +11 MRD:mmo116 →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. Tag: Visual edit
- 16:5816:58, 11 May 2018 diff hist +6 MRD:mmo116 →Reactive and unreactive trajectories Tag: Visual edit
- 16:5616:56, 11 May 2018 diff hist +289 MRD:mmo116 No edit summary
- 16:4716:47, 11 May 2018 diff hist +582 MRD:mmo116 No edit summary
- 16:3516:35, 11 May 2018 diff hist +376 MRD:mmo116 →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? Tag: Visual edit
- 16:3216:32, 11 May 2018 diff hist +793 MRD:mmo116 →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? Tag: Visual edit
- 16:0116:01, 11 May 2018 diff hist +1 MRD:mmo116 No edit summary
- 16:0016:00, 11 May 2018 diff hist +215 MRD:mmo116 →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. Tag: Visual edit
- 15:5715:57, 11 May 2018 diff hist +871 MRD:mmo116 No edit summary
- 15:5715:57, 11 May 2018 diff hist 0 N File:MO phf0.1 phh-3.PNG No edit summary current
- 15:5215:52, 11 May 2018 diff hist 0 N File:MO phf-4 phh0.1.PNG No edit summary current
- 15:4815:48, 11 May 2018 diff hist 0 N File:MO phf-0.2 phh-5.PNG No edit summary current
- 15:4315:43, 11 May 2018 diff hist 0 N File:MO phf-0.5phh-3.PNG No edit summary current
- 15:2515:25, 11 May 2018 diff hist −222 MRD:mmo116 →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. Tag: Visual edit
- 15:2315:23, 11 May 2018 diff hist +172 MRD:mmo116 No edit summary
- 15:2215:22, 11 May 2018 diff hist +251 MRD:mmo116 →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. Tag: Visual edit
- 15:1315:13, 11 May 2018 diff hist +987 MRD:mmo116 No edit summary
- 14:4514:45, 11 May 2018 diff hist +31 MRD:mmo116 →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. Tag: Visual edit
- 14:4314:43, 11 May 2018 diff hist +623 MRD:mmo116 No edit summary
- 14:4114:41, 11 May 2018 diff hist 0 N File:MO phf-0.8 phh0.1.PNG No edit summary current
- 14:3414:34, 11 May 2018 diff hist 0 N File:MO phh-2.8.PNG No edit summary current
- 14:3314:33, 11 May 2018 diff hist 0 N File:MO phh3.PNG No edit summary current
- 14:3314:33, 11 May 2018 diff hist +210 MRD:mmo116 No edit summary
- 14:3214:32, 11 May 2018 diff hist 0 File:MO phh-3.PNG Mmo116 uploaded a new version of File:MO phh-3.PNG current
- 14:3214:32, 11 May 2018 diff hist 0 N File:MO phh2.6.PNG No edit summary current
- 14:3214:32, 11 May 2018 diff hist 0 N File:MO phh-2.5.PNG No edit summary current
- 14:1714:17, 11 May 2018 diff hist 0 N File:MO phh-3.PNG No edit summary
- 14:0814:08, 11 May 2018 diff hist +206 MRD:mmo116 No edit summary
- 14:0614:06, 11 May 2018 diff hist +841 MRD:mmo116 No edit summary
- 13:5413:54, 11 May 2018 diff hist 0 N File:MO reactive traj energy.PNG No edit summary current
- 13:5213:52, 11 May 2018 diff hist +113 MRD:mmo116 →In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally?
- 13:4813:48, 11 May 2018 diff hist 0 File:MO reactive traj.PNG Mmo116 uploaded a new version of File:MO reactive traj.PNG current
- 13:4613:46, 11 May 2018 diff hist +366 MRD:mmo116 No edit summary
- 13:4113:41, 11 May 2018 diff hist 0 N File:MO reactive traj.PNG No edit summary
- 13:1613:16, 11 May 2018 diff hist +16 MRD:mmo116 →Report the activation energy for both reactions.
- 13:1513:15, 11 May 2018 diff hist 0 N File:MO activation energy 2.PNG No edit summary current
- 13:1513:15, 11 May 2018 diff hist +668 MRD:mmo116 No edit summary
- 12:3312:33, 11 May 2018 diff hist +75 MRD:mmo116 No edit summary
- 12:3112:31, 11 May 2018 diff hist 0 N File:MO activation energy 1.PNG No edit summary current
10 May 2018
- 20:4020:40, 10 May 2018 diff hist +865 MRD:mmo116 No edit summary
- 20:2520:25, 10 May 2018 diff hist +528 MRD:mmo116 No edit summary Tag: Visual edit
- 20:2020:20, 10 May 2018 diff hist +194 MRD:mmo116 →When initial positions are set to the final positions of the trajectory and the initial momenta values are the same as the final momenta values, with reversed signs. Tag: Visual edit
- 20:1620:16, 10 May 2018 diff hist +314 MRD:mmo116 →Changed initial conditions so r1 = rts and r2 = rts+0.01 instead? Tag: Visual edit
- 20:1320:13, 10 May 2018 diff hist +400 MRD:mmo116 No edit summary Tag: Visual edit
- 20:1020:10, 10 May 2018 diff hist +96 MRD:mmo116 No edit summary
- 20:0820:08, 10 May 2018 diff hist +517 MRD:mmo116 No edit summary
- 19:4019:40, 10 May 2018 diff hist +63 MRD:mmo116 →Exercise 2: F - H - H system
- 19:2819:28, 10 May 2018 diff hist 0 MRD:mmo116 →EXERCISE 2: F - H - H system Tag: Visual edit
- 19:2719:27, 10 May 2018 diff hist +99 MRD:mmo116 No edit summary
- 19:2519:25, 10 May 2018 diff hist +90 MRD:mmo116 No edit summary Tag: Visual edit