User contributions for Lz3717
21 May 2019
- 13:5213:52, 21 May 2019 diff hist +211 MRD:lz3717 →Q4: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?
- 13:4313:43, 21 May 2019 diff hist 0 N File:Lz3717 Surface Plot4.png No edit summary current
- 13:4213:42, 21 May 2019 diff hist +186 MRD:lz3717 →Q4: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?
- 13:4013:40, 21 May 2019 diff hist 0 N File:Lz3717 Surface Plot3.png No edit summary current
- 13:3913:39, 21 May 2019 diff hist +165 MRD:lz3717 →Q4: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?
- 13:3313:33, 21 May 2019 diff hist 0 N File:Lz3717 Surface Plot2.png No edit summary current
- 13:3313:33, 21 May 2019 diff hist +30 MRD:lz3717 →Q4: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?
- 13:3013:30, 21 May 2019 diff hist +93 MRD:lz3717 →Q4: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?
- 13:2713:27, 21 May 2019 diff hist +29 MRD:lz3717 →Q4: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?
- 13:2613:26, 21 May 2019 diff hist 0 N File:Lz3717 Surface Plot1.png No edit summary current
- 13:2413:24, 21 May 2019 diff hist +34 MRD:lz3717 →Q4: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?
- 13:2413:24, 21 May 2019 diff hist +63 MRD:lz3717 →Q4: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?
- 13:1913:19, 21 May 2019 diff hist −2 MRD:lz3717 →Q4: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?
- 13:1913:19, 21 May 2019 diff hist +207 MRD:lz3717 →Q4: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?
- 13:1213:12, 21 May 2019 diff hist +7 MRD:lz3717 →Molecular Reaction Dynamics: Applications to Triatomic systems
- 13:1113:11, 21 May 2019 diff hist +251 MRD:lz3717 →Q3:Comment on how the mep and the trajectory you just calculated differ.
- 13:1113:11, 21 May 2019 diff hist +17 MRD:lz3717 →Q2: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.
- 13:1113:11, 21 May 2019 diff hist +11 MRD:lz3717 →Q2: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.
- 13:1013:10, 21 May 2019 diff hist −7 MRD:lz3717 →Q1: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?
- 13:1013:10, 21 May 2019 diff hist +6 MRD:lz3717 →Q1: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?
- 13:1013:10, 21 May 2019 diff hist −277 MRD:lz3717 →Q4: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?
- 13:1013:10, 21 May 2019 diff hist +251 MRD:lz3717 →Exercise 1: H + H2 system
- 13:0913:09, 21 May 2019 diff hist 0 MRD:lz3717 →Exercise 1: H + H2 system
- 13:0813:08, 21 May 2019 diff hist 0 MRD:lz3717 →Exercise 1: H + H2 system
- 13:0713:07, 21 May 2019 diff hist +313 MRD:lz3717 →Exercise 1: H + H2 system
- 13:0113:01, 21 May 2019 diff hist +1 MRD:lz3717 →Exercise 1: H + H2 system
- 13:0113:01, 21 May 2019 diff hist +50 MRD:lz3717 →Exercise 1: H + H2 system
- 13:0013:00, 21 May 2019 diff hist −20 MRD:lz3717 →Exercise 1: H + H2 system
- 13:0013:00, 21 May 2019 diff hist 0 N File:Lz3717 energydiagramdynamic.png No edit summary current
- 13:0013:00, 21 May 2019 diff hist +8 MRD:lz3717 →Exercise 1: H + H2 system
- 12:5912:59, 21 May 2019 diff hist +5 MRD:lz3717 →Exercise 1: H + H2 system
- 12:5812:58, 21 May 2019 diff hist 0 N File:Lz3717 energy diagrammep.png No edit summary current
- 12:5812:58, 21 May 2019 diff hist +196 MRD:lz3717 →Exercise 1: H + H2 system
- 12:5612:56, 21 May 2019 diff hist −12 MRD:lz3717 →Exercise 1: H + H2 system
- 12:5512:55, 21 May 2019 diff hist +6 MRD:lz3717 →Exercise 1: H + H2 system
- 12:5512:55, 21 May 2019 diff hist +5 MRD:lz3717 →Exercise 1: H + H2 system
- 12:5512:55, 21 May 2019 diff hist +16 MRD:lz3717 →Exercise 1: H + H2 system
- 12:5512:55, 21 May 2019 diff hist −25 MRD:lz3717 →Exercise 1: H + H2 system
- 12:5312:53, 21 May 2019 diff hist −32 MRD:lz3717 →Exercise 1: H + H2 system
- 12:5312:53, 21 May 2019 diff hist +27 MRD:lz3717 →Exercise 1: H + H2 system
- 12:5212:52, 21 May 2019 diff hist +27 MRD:lz3717 →Exercise 1: H + H2 system
- 12:5112:51, 21 May 2019 diff hist +11 MRD:lz3717 →Exercise 1: H + H2 system
- 12:5012:50, 21 May 2019 diff hist −2 MRD:lz3717 →Exercise 1: H + H2 system
- 12:5012:50, 21 May 2019 diff hist +146 MRD:lz3717 →Exercise 1: H + H2 system
- 12:4512:45, 21 May 2019 diff hist +92 MRD:lz3717 →Exercise 1: H + H2 system
- 12:4412:44, 21 May 2019 diff hist 0 N File:Lz3717 dynamics.png No edit summary current
- 12:4412:44, 21 May 2019 diff hist +79 MRD:lz3717 →Exercise 1: H + H2 system
- 12:4312:43, 21 May 2019 diff hist 0 N File:Lz3717 MEP.png No edit summary current
- 12:4312:43, 21 May 2019 diff hist +2 MRD:lz3717 →Exercise 1: H + H2 system
- 12:4212:42, 21 May 2019 diff hist +2 MRD:lz3717 →Exercise 1: H + H2 system
