User contributions
(newest | oldest) View (newer 50 | older 50) (20 | 50 | 100 | 250 | 500)
- 20:25, 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)
- 20:21, 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.)
- 20:14, 4 June 2020 (diff | hist) . . (+284) . . MRD:01541238 (→Question 8. Report the activation energy for both reactions.)
- 20:12, 4 June 2020 (diff | hist) . . (+280) . . MRD:01541238 (→Question 7. Locate the approximate position of the transition state.)
- 20:10, 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?)
- 20:04, 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?)
- 20:02, 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...)
- 19:57, 4 June 2020 (diff | hist) . . (+191) . . MRD:01541238 (→Question 3. Comment on how the mep and the trajectory you just calculated differ.)
- 19:54, 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.)
- 19:53, 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.)
- 19:49, 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?)
- 19:36, 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)
- 19:30, 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.)
- 19:24, 4 June 2020 (diff | hist) . . (+738) . . MRD:01547559 (→Exercise 2)
- 19:13, 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?)
- 19:09, 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?)
- 19:04, 4 June 2020 (diff | hist) . . (+224) . . MRD:01547559 (→Question 3: Comment on how the mep and the trajectory you just calculated differ.)
- 19:02, 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.)
- 18:58, 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?)
- 17:48, 4 June 2020 (diff | hist) . . (+327) . . MRD:ML9418 (→Effect of Translational and Vibrational Energy on the Reaction) (current)
- 17:45, 4 June 2020 (diff | hist) . . (+211) . . MRD:ML9418 (→Effect of Translational and Vibrational Energy on the Reaction)
- 17:43, 4 June 2020 (diff | hist) . . (+385) . . MRD:ML9418 (→Effect of Translational and Vibrational Energy on the Reaction)
- 17:38, 4 June 2020 (diff | hist) . . (+191) . . MRD:ML9418 (→Release of Reaction Energy)
- 17:27, 4 June 2020 (diff | hist) . . (+122) . . MRD:ML9418 (→The Activation Energies of the Forward and Backward Reactions)
- 17:26, 4 June 2020 (diff | hist) . . (+386) . . MRD:ML9418 (→The Transition State of the Transformation)
- 17:25, 4 June 2020 (diff | hist) . . (+397) . . MRD:ML9418 (→The Energetics of the Reactions)
- 17:23, 4 June 2020 (diff | hist) . . (+293) . . MRD:ML9418 (→Transition State Theory)
- 17:20, 4 June 2020 (diff | hist) . . (+154) . . MRD:ML9418 (→Testing Different Reaction Trajectories for the Reaction Ha-Hb + Hc -> Ha + Hb-Hc)
- 17:19, 4 June 2020 (diff | hist) . . (+118) . . MRD:ML9418 (→Testing Different Reaction Trajectories for the Reaction Ha-Hb + Hc -> Ha + Hb-Hc)
- 17:17, 4 June 2020 (diff | hist) . . (+60) . . MRD:ML9418 (→The Minimum Energy Path (MEP))
- 17:16, 4 June 2020 (diff | hist) . . (+132) . . MRD:ML9418 (→The Minimum Energy Path (MEP))
- 17:14, 4 June 2020 (diff | hist) . . (+43) . . MRD:ML9418 (→The Position of the Tranition State for the Reaction H2 + H -> H + H2)
- 17:14, 4 June 2020 (diff | hist) . . (-39) . . MRD:ML9418 (→The Position of the Tranition State for the Reaction H2 + H -> H + H2)
- 17:12, 4 June 2020 (diff | hist) . . (+177) . . MRD:ML9418 (→The Position of the Tranition State for the Reaction H2 + H -> H + H2)
- 17:02, 4 June 2020 (diff | hist) . . (+481) . . MRD:ML9418 (→The Transition State and its Identification)
- 16:15, 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)
- 16:11, 4 June 2020 (diff | hist) . . (+207) . . MRD:Bl1718 (→Reaction dynamics)
- 16:00, 4 June 2020 (diff | hist) . . (+180) . . MRD:Bl1718 (→Report the activation energy for both reactions)
- 15:29, 4 June 2020 (diff | hist) . . (+172) . . MRD:Bl1718 (→Locate the approximate position of the transition state)
- 15:26, 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?)
- 15:22, 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?)
- 14:09, 4 June 2020 (diff | hist) . . (+331) . . MRD:Bl1718 (→Comment on how the mep and the trajectory you just calculated differ)
- 14:07, 4 June 2020 (diff | hist) . . (+148) . . MRD:Bl1718 (→Trajectories from r1 = r2: locating the transition state)
- 14:04, 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?)
- 13:37, 4 June 2020 (diff | hist) . . (+238) . . MRD:xs2218 (→Part 5: Different modes of distribution of energy) (current)
- 13:36, 4 June 2020 (diff | hist) . . (+204) . . MRD:xs2218 (→References)
- 13:35, 4 June 2020 (diff | hist) . . (+404) . . MRD:xs2218 (→Part 5: Different modes of distribution of energy)
- 13:34, 4 June 2020 (diff | hist) . . (+155) . . MRD:xs2218 (→Part 4: Release of reaction energy)
- 13:33, 4 June 2020 (diff | hist) . . (+160) . . MRD:xs2218 (→Part 3: Activation Energy)
- 13:32, 4 June 2020 (diff | hist) . . (+228) . . MRD:xs2218 (→Part 2: Transition State Approximation)
(newest | oldest) View (newer 50 | older 50) (20 | 50 | 100 | 250 | 500)
