User contributions for Ige15
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22 May 2018
- 13:0513:05, 22 May 2018 diff hist +9 MRD:IGE15 →H + H-F
- 13:0313:03, 22 May 2018 diff hist 0 File:IGE HF reaction1.png Ige15 uploaded a new version of File:IGE HF reaction1.png current
- 13:0213:02, 22 May 2018 diff hist 0 File:IGE HF reaction1.png Ige15 uploaded a new version of File:IGE HF reaction1.png
- 13:0213:02, 22 May 2018 diff hist 0 File:IGE HF reaction1.png Ige15 uploaded a new version of File:IGE HF reaction1.png
- 13:0013:00, 22 May 2018 diff hist 0 MRD:IGE15 →H + H-F
- 12:5912:59, 22 May 2018 diff hist 0 File:IGE HF reaction1.png Ige15 uploaded a new version of File:IGE HF reaction1.png
- 10:0210:02, 22 May 2018 diff hist +56 MRD:IGE15 →In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally?
- 09:5109:51, 22 May 2018 diff hist −19 MRD:IGE15 →Introduction
- 09:3609:36, 22 May 2018 diff hist +12 MRD:IGE15 →Transition State Theory
- 09:3509:35, 22 May 2018 diff hist +50 MRD:IGE15 →Comment on how the mep and the trajectory you just calculated differ.
- 09:3209:32, 22 May 2018 diff hist +443 MRD:IGE15 →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.
- 09:2609:26, 22 May 2018 diff hist +5 MRD:IGE15 /* What value do the different components of the gradient of the potential energy surface have at a minimum and at a transition structure? Briefly explain how minima and transition structures can be distinguished using the curvature of the potential en...
- 09:2409:24, 22 May 2018 diff hist +32 MRD:IGE15 →Discussion
- 09:2209:22, 22 May 2018 diff hist +1 MRD:IGE15 →Discussion
- 09:2109:21, 22 May 2018 diff hist +35 MRD:IGE15 →H + H-F
21 May 2018
- 18:4718:47, 21 May 2018 diff hist +83 MRD:IGE15 No edit summary
- 18:4518:45, 21 May 2018 diff hist +50 MRD:IGE15 →H - H - F System
- 18:4418:44, 21 May 2018 diff hist +96 MRD:IGE15 →H - H - H System
- 18:3318:33, 21 May 2018 diff hist −78 MRD:IGE15 →Introduction
- 17:4517:45, 21 May 2018 diff hist +12 MRD:IGE15 →Discussion
- 17:4417:44, 21 May 2018 diff hist +87 MRD:IGE15 →Discussion
- 17:4217:42, 21 May 2018 diff hist +93 MRD:IGE15 →Discussion
- 17:4017:40, 21 May 2018 diff hist +72 MRD:IGE15 →H + H-F
- 17:3817:38, 21 May 2018 diff hist 0 File:IGE HF reaction6.png Ige15 uploaded a new version of File:IGE HF reaction6.png current
- 17:3717:37, 21 May 2018 diff hist +64 MRD:IGE15 →F + H-H
- 17:3517:35, 21 May 2018 diff hist +427 MRD:IGE15 →H + H-F
- 17:3417:34, 21 May 2018 diff hist 0 N File:IGE HF reaction7.png No edit summary current
- 17:3417:34, 21 May 2018 diff hist 0 N File:IGE HF reaction8.png No edit summary current
- 17:3417:34, 21 May 2018 diff hist 0 N File:IGE HF reaction6.png No edit summary
- 17:3217:32, 21 May 2018 diff hist 0 N File:IGE HF reaction5.png No edit summary current
- 17:3117:31, 21 May 2018 diff hist 0 N File:IGE HF reaction4.png No edit summary current
- 17:3117:31, 21 May 2018 diff hist 0 N File:IGE HF reaction3.png No edit summary current
- 17:3117:31, 21 May 2018 diff hist +31 MRD:IGE15 →Discussion
- 17:2817:28, 21 May 2018 diff hist +1,584 MRD:IGE15 →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.
- 17:2817:28, 21 May 2018 diff hist 0 N File:IGE HH reaction7.png No edit summary current
- 17:1617:16, 21 May 2018 diff hist 0 N File:IGE HF reaction2.png No edit summary current
- 17:1617:16, 21 May 2018 diff hist 0 N File:IGE HF reaction1.png No edit summary
- 17:0417:04, 21 May 2018 diff hist −862 MRD:IGE15 →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.
- 17:0317:03, 21 May 2018 diff hist 0 N File:IGE HH reaction6.png No edit summary current
- 17:0317:03, 21 May 2018 diff hist 0 N File:IGE HH reaction5.png No edit summary current
- 16:5916:59, 21 May 2018 diff hist 0 N File:IGE HH reaction4.png No edit summary current
- 16:5916:59, 21 May 2018 diff hist 0 N File:IGE HH reaction3.png No edit summary current
- 16:5916:59, 21 May 2018 diff hist 0 N File:IGE HH reaction2.png No edit summary current
- 16:5916:59, 21 May 2018 diff hist 0 N File:IGE HH reaction1.png No edit summary current
- 16:5116:51, 21 May 2018 diff hist +1,605 MRD:IGE15 →In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally?
- 16:3716:37, 21 May 2018 diff hist +2 MRD:IGE15 →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.
- 16:3716:37, 21 May 2018 diff hist +3 MRD:IGE15 →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?
- 16:3716:37, 21 May 2018 diff hist +727 MRD:IGE15 →H - H - F System
- 16:3716:37, 21 May 2018 diff hist 0 N File:Reaction momenta IGE.png No edit summary current
- 16:2616:26, 21 May 2018 diff hist +619 MRD:IGE15 →H - H - F System