User contributions for Am12618
15 May 2020
- 17:1017:10, 15 May 2020 diff hist +1 01564233wikireport →Bibiliography
- 17:1017:10, 15 May 2020 diff hist −38 01564233wikireport →Bibiliography
- 17:0817:08, 15 May 2020 diff hist +287 01564233wikireport →MOLECULAR REACTION DYNAMICS
- 16:5916:59, 15 May 2020 diff hist −8 01564233wikireport →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.
- 16:5816:58, 15 May 2020 diff hist +13 01564233wikireport →Dynamics from the transition state region
- 16:5716:57, 15 May 2020 diff hist +6 01564233wikireport →PES inspection
- 16:5716:57, 15 May 2020 diff hist −11 01564233wikireport →Reaction dynamics
- 16:5616:56, 15 May 2020 diff hist −20 01564233wikireport →Exercise 2:F - H - H system
- 16:5516:55, 15 May 2020 diff hist +19 01564233wikireport →Reaction dynamics
- 16:5416:54, 15 May 2020 diff hist +21 01564233wikireport →Report the activation energy for both reactions
- 16:5316:53, 15 May 2020 diff hist +14 01564233wikireport →Report the activation energy for both reactions
- 16:5316:53, 15 May 2020 diff hist +58 01564233wikireport →Exercise 2:F - H - H system
- 16:4816:48, 15 May 2020 diff hist −24 01564233wikireport →Exercise 1: H + H2 system
- 16:4516:45, 15 May 2020 diff hist +84 01564233wikireport →Reactive and unreactive trajectories
- 16:4516:45, 15 May 2020 diff hist +1 01564233wikireport →How do the mep and the trajectory calculated differ
- 16:4416:44, 15 May 2020 diff hist +3 01564233wikireport →Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Inter-nuclear Distances vs Time” plot for a relevant trajectory.
- 16:4316:43, 15 May 2020 diff hist +6 01564233wikireport →Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Inter-nuclear Distances vs Time” plot for a relevant trajectory.
- 16:4316:43, 15 May 2020 diff hist −18 01564233wikireport →Transition State
- 16:3416:34, 15 May 2020 diff hist +18 01564233wikireport →Exercise 1: H + H2 system
- 16:3316:33, 15 May 2020 diff hist +948 01564233wikireport →MOLECULAR REACTION DYNAMICS
- 15:2615:26, 15 May 2020 diff hist +193 01564233wikireport →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
- 15:0315:03, 15 May 2020 diff hist −6 01564233wikireport →Dynamics from the transition state region
- 15:0215:02, 15 May 2020 diff hist +75 01564233wikireport →Transition State
- 15:0015:00, 15 May 2020 diff hist +426 01564233wikireport →How do the mep and the trajectory calculated differ
- 14:4114:41, 15 May 2020 diff hist +127 01564233wikireport →Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Inter-nuclear Distances vs Time” plot for a relevant trajectory.
- 14:3914:39, 15 May 2020 diff hist +80 01564233wikireport →Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Inter-nuclear Distances vs Time” plot for a relevant trajectory.
- 13:5713:57, 15 May 2020 diff hist +1,043 01564233wikireport →Transition State Theory
- 13:1213:12, 15 May 2020 diff hist +53 01564233wikireport →Exercise 2:F - H - H system
- 13:0813:08, 15 May 2020 diff hist +1 01564233wikireport →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.
- 13:0713:07, 15 May 2020 diff hist +32 01564233wikireport →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.
- 13:0613:06, 15 May 2020 diff hist −1 01564233wikireport →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.
- 13:0513:05, 15 May 2020 diff hist −4 01564233wikireport →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.
- 13:0413:04, 15 May 2020 diff hist −63 01564233wikireport →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.
- 13:0313:03, 15 May 2020 diff hist +8 01564233wikireport →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.
- 13:0213:02, 15 May 2020 diff hist +253 01564233wikireport →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.
- 12:5912:59, 15 May 2020 diff hist 0 N File:Reactive trajectory of an exothermic reaction.png No edit summary current
- 12:5012:50, 15 May 2020 diff hist +222 01564233wikireport →Reaction dynamics
- 12:4912:49, 15 May 2020 diff hist 0 N File:Exothermic Reaction Polyani's empirical Rules successful Reaction.png No edit summary current
- 12:4812:48, 15 May 2020 diff hist 0 N File:Exothermic Reaction Polyani's empirical Rules unsuccessful Reaction.png No edit summary current
- 12:1012:10, 15 May 2020 diff hist +73 01564233wikireport →Reactive and unreactive trajectories
- 11:4011:40, 15 May 2020 diff hist +29 01564233wikireport →Reactive and unreactive trajectories
- 11:3511:35, 15 May 2020 diff hist +671 01564233wikireport →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.
- 11:0811:08, 15 May 2020 diff hist +387 01564233wikireport →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.
- 10:3910:39, 15 May 2020 diff hist +118 01564233wikireport →Reactive and unreactive trajectories
- 10:0610:06, 15 May 2020 diff hist +325 01564233wikireport →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.
- 09:4809:48, 15 May 2020 diff hist +333 01564233wikireport →Reaction dynamics
- 07:4807:48, 15 May 2020 diff hist +37 01564233wikireport →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.
- 07:4507:45, 15 May 2020 diff hist +1,002 01564233wikireport →Reaction dynamics
- 07:4007:40, 15 May 2020 diff hist 0 N File:Momenta vs Time plot of H2 going to HF reactive trajectory with initial HH=75 HF=190, pHH=-5 and pHF=-1.png No edit summary current
- 07:4007:40, 15 May 2020 diff hist 0 N File:Contour plot of H2 going to HF reactive trajectory with initial HH=75 HF=190, pHH=-5 and pHF=-1.png No edit summary current
