User contributions for Rs6817
4 June 2020
- 19:2519:25, 4 June 2020 diff hist +543 MRD:01541238 →Question 10. 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. current
- 19:2119:21, 4 June 2020 diff hist +597 MRD:01541238 →Question 9. 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.
- 19:1419:14, 4 June 2020 diff hist +284 MRD:01541238 →Question 8. Report the activation energy for both reactions.
- 19:1219:12, 4 June 2020 diff hist +280 MRD:01541238 →Question 7. Locate the approximate position of the transition state.
- 19:1019:10, 4 June 2020 diff hist +182 MRD:01541238 →Question 6. By inspecting the potential energy surfaces, 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?
- 19:0419:04, 4 June 2020 diff hist +410 MRD:01541238 →Question 5. Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?
- 19:0219:02, 4 June 2020 diff hist +333 MRD:01541238 /* Question 4. Complete the table below 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 tab...
- 18:5718:57, 4 June 2020 diff hist +191 MRD:01541238 →Question 3. Comment on how the mep and the trajectory you just calculated differ.
- 18:5418:54, 4 June 2020 diff hist +23 MRD:01541238 →Question 2. 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.
- 18:5318:53, 4 June 2020 diff hist +144 MRD:01541238 →Question 2. 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.
- 18:4918:49, 4 June 2020 diff hist +281 MRD:01541238 →Question 1. 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?
- 18:3618:36, 4 June 2020 diff hist +260 MRD:01547559 →Question 5: 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. current
- 18:3018:30, 4 June 2020 diff hist +343 MRD:01547559 →Question 4: 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.
- 18:2418:24, 4 June 2020 diff hist +738 MRD:01547559 →Exercise 2
- 18:1318:13, 4 June 2020 diff hist +323 MRD:01547559 →Question 5: Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?
- 18:0918:09, 4 June 2020 diff hist +254 MRD:01547559 →Question 4: 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?
- 18:0418:04, 4 June 2020 diff hist +224 MRD:01547559 →Question 3: Comment on how the mep and the trajectory you just calculated differ.
- 18:0218:02, 4 June 2020 diff hist +114 MRD:01547559 →Question 2: 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.
- 17:5817:58, 4 June 2020 diff hist +581 MRD:01547559 →Question 1: 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?
- 16:4816:48, 4 June 2020 diff hist +327 MRD:ML9418 →Effect of Translational and Vibrational Energy on the Reaction current
- 16:4516:45, 4 June 2020 diff hist +211 MRD:ML9418 →Effect of Translational and Vibrational Energy on the Reaction
- 16:4316:43, 4 June 2020 diff hist +385 MRD:ML9418 →Effect of Translational and Vibrational Energy on the Reaction
- 16:3816:38, 4 June 2020 diff hist +191 MRD:ML9418 →Release of Reaction Energy
- 16:2716:27, 4 June 2020 diff hist +122 MRD:ML9418 →The Activation Energies of the Forward and Backward Reactions
- 16:2616:26, 4 June 2020 diff hist +386 MRD:ML9418 →The Transition State of the Transformation
- 16:2516:25, 4 June 2020 diff hist +397 MRD:ML9418 →The Energetics of the Reactions
- 16:2316:23, 4 June 2020 diff hist +293 MRD:ML9418 →Transition State Theory
- 16:2016:20, 4 June 2020 diff hist +154 MRD:ML9418 →Testing Different Reaction Trajectories for the Reaction Ha-Hb + Hc -> Ha + Hb-Hc
- 16:1916:19, 4 June 2020 diff hist +118 MRD:ML9418 →Testing Different Reaction Trajectories for the Reaction Ha-Hb + Hc -> Ha + Hb-Hc
- 16:1716:17, 4 June 2020 diff hist +60 MRD:ML9418 →The Minimum Energy Path (MEP)
- 16:1616:16, 4 June 2020 diff hist +132 MRD:ML9418 →The Minimum Energy Path (MEP)
- 16:1416:14, 4 June 2020 diff hist +43 MRD:ML9418 →The Position of the Tranition State for the Reaction H2 + H -> H + H2
- 16:1416:14, 4 June 2020 diff hist −39 MRD:ML9418 →The Position of the Tranition State for the Reaction H2 + H -> H + H2
- 16:1216:12, 4 June 2020 diff hist +177 MRD:ML9418 →The Position of the Tranition State for the Reaction H2 + H -> H + H2
- 16:0216:02, 4 June 2020 diff hist +481 MRD:ML9418 →The Transition State and its Identification
- 15:1515:15, 4 June 2020 diff hist +295 MRD:Bl1718 →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 current
- 15:1115:11, 4 June 2020 diff hist +207 MRD:Bl1718 →Reaction dynamics
- 15:0015:00, 4 June 2020 diff hist +180 MRD:Bl1718 →Report the activation energy for both reactions
- 14:2914:29, 4 June 2020 diff hist +172 MRD:Bl1718 →Locate the approximate position of the transition state
- 14:2614:26, 4 June 2020 diff hist +119 MRD:Bl1718 →By inspecting the potential energy surfaces, 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?
- 14:2214:22, 4 June 2020 diff hist +477 MRD:Bl1718 →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?
- 13:0913:09, 4 June 2020 diff hist +331 MRD:Bl1718 →Comment on how the mep and the trajectory you just calculated differ
- 13:0713:07, 4 June 2020 diff hist +148 MRD:Bl1718 →Trajectories from r1 = r2: locating the transition state
- 13:0413:04, 4 June 2020 diff hist +235 MRD:Bl1718 →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?
- 12:3712:37, 4 June 2020 diff hist +238 MRD:xs2218 →Part 5: Different modes of distribution of energy current
- 12:3612:36, 4 June 2020 diff hist +204 MRD:xs2218 →References
- 12:3512:35, 4 June 2020 diff hist +404 MRD:xs2218 →Part 5: Different modes of distribution of energy
- 12:3412:34, 4 June 2020 diff hist +155 MRD:xs2218 →Part 4: Release of reaction energy
- 12:3312:33, 4 June 2020 diff hist +160 MRD:xs2218 →Part 3: Activation Energy
- 12:3212:32, 4 June 2020 diff hist +228 MRD:xs2218 →Part 2: Transition State Approximation