User contributions for Sn518
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15 May 2020
- 21:5521:55, 15 May 2020 diff hist +57 MRD:sn518 mrd →F - H - H System Tag: Visual edit
- 21:5321:53, 15 May 2020 diff hist +15 MRD:sn518 mrd →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
- 21:5221:52, 15 May 2020 diff hist 0 MRD:sn518 mrd →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.
- 21:5221:52, 15 May 2020 diff hist −3 MRD:sn518 mrd →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.
- 21:5121:51, 15 May 2020 diff hist 0 File:Force zero ts.png Sn518 uploaded a new version of File:Force zero ts.png current
- 21:4821:48, 15 May 2020 diff hist −1 MRD:sn518 mrd →H+H2 System
- 21:4721:47, 15 May 2020 diff hist +339 MRD:sn518 mrd No edit summary
- 21:4421:44, 15 May 2020 diff hist 0 N File:Force zero ts.png No edit summary
- 21:4121:41, 15 May 2020 diff hist 0 N File:Ts skew.png No edit summary current
- 21:3321:33, 15 May 2020 diff hist −4 MRD:sn518 mrd →References Tag: Visual edit
- 21:3121:31, 15 May 2020 diff hist +24 MRD:sn518 mrd →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
- 21:2621:26, 15 May 2020 diff hist +2 MRD:sn518 mrd →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
- 21:2521:25, 15 May 2020 diff hist −8 MRD:sn518 mrd /* Identify a set of initial conditions that results in a reactive trajectory for the F + H2, and look at the “Animation” and “Momenta vs Time”.In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. Tag: Visual edit
- 21:1921:19, 15 May 2020 diff hist +41 MRD:sn518 mrd →Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values? Tag: Visual edit
- 21:1621:16, 15 May 2020 diff hist +36 MRD:sn518 mrd →Complete the table 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?
- 21:1321:13, 15 May 2020 diff hist +69 MRD:sn518 mrd →Complete the table 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? Tag: Visual edit
- 21:1121:11, 15 May 2020 diff hist +6 MRD:sn518 mrd →Complete the table 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?
- 21:1121:11, 15 May 2020 diff hist 0 N File:Mrd 5 table.png No edit summary current
- 21:0621:06, 15 May 2020 diff hist −2 MRD:sn518 mrd →Complete the table 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? Tag: Visual edit
- 21:0421:04, 15 May 2020 diff hist −97 MRD:sn518 mrd →Complete the table 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? Tag: Visual edit
- 21:0121:01, 15 May 2020 diff hist +4 MRD:sn518 mrd →H+H2 System Tag: Visual edit
- 17:5517:55, 15 May 2020 diff hist +39 MRD:sn518 mrd →H+H2 System
- 17:5417:54, 15 May 2020 diff hist +109 MRD:sn518 mrd →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?
- 17:5117:51, 15 May 2020 diff hist 0 MRD:sn518 mrd →Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?
- 17:5017:50, 15 May 2020 diff hist +164 MRD:sn518 mrd →Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?
- 17:4417:44, 15 May 2020 diff hist +272 MRD:sn518 mrd No edit summary
- 17:2817:28, 15 May 2020 diff hist −7 MRD:sn518 mrd →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.
- 17:2617:26, 15 May 2020 diff hist +272 MRD:sn518 mrd →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.
- 16:4016:40, 15 May 2020 diff hist −6 MRD:sn518 mrd →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
- 16:3216:32, 15 May 2020 diff hist +174 MRD:sn518 mrd →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.
- 16:3016:30, 15 May 2020 diff hist +12 MRD:sn518 mrd No edit summary
- 16:2916:29, 15 May 2020 diff hist +1,410 MRD:sn518 mrd No edit summary
- 16:1316:13, 15 May 2020 diff hist 0 File:9 final 1.png Sn518 uploaded a new version of File:9 final 1.png current
- 15:5015:50, 15 May 2020 diff hist +131 MRD:sn518 mrd →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.
- 15:4815:48, 15 May 2020 diff hist 0 N File:After t1.png No edit summary current
- 15:4715:47, 15 May 2020 diff hist 0 MRD:sn518 mrd →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
- 15:4615:46, 15 May 2020 diff hist +2,236 MRD:sn518 mrd →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
- 15:0915:09, 15 May 2020 diff hist −11 MRD:sn518 mrd →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
- 15:0815:08, 15 May 2020 diff hist −16 MRD:sn518 mrd →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
- 15:0815:08, 15 May 2020 diff hist 0 MRD:sn518 mrd →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.
- 15:0715:07, 15 May 2020 diff hist +35 MRD:sn518 mrd →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
- 15:0615:06, 15 May 2020 diff hist +505 MRD:sn518 mrd →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
- 14:5614:56, 15 May 2020 diff hist +301 MRD:sn518 mrd →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
- 14:5314:53, 15 May 2020 diff hist +214 MRD:sn518 mrd →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
- 14:3414:34, 15 May 2020 diff hist 0 MRD:sn518 mrd /* Identify a set of initial conditions that results in a reactive trajectory for the F + H2, and look at the “Animation” and “Momenta vs Time”.In light of the fact that energy is conserved, discuss the mechanism of release of the reaction ener...
- 14:3314:33, 15 May 2020 diff hist +1,850 MRD:sn518 mrd /* Identify a set of initial conditions that results in a reactive trajectory for the F + H2, and look at the “Animation” and “Momenta vs Time”.In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. Tag: Visual edit
- 13:5913:59, 15 May 2020 diff hist +22 MRD:sn518 mrd /* Identify a set of initial conditions that results in a reactive trajectory for the F + H2, and look at the “Animation” and “Momenta vs Time”.In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. Tag: Visual edit
- 13:3013:30, 15 May 2020 diff hist +168 MRD:sn518 mrd →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.
- 13:2913:29, 15 May 2020 diff hist +10 MRD:sn518 mrd No edit summary Tag: Visual edit
- 13:2813:28, 15 May 2020 diff hist +217 MRD:sn518 mrd /* Identify a set of initial conditions that results in a reactive trajectory for the F + H2, and look at the “Animation” and “Momenta vs Time”.In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. Tag: Visual edit