User contributions
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- 15:20, 15 May 2020 (diff | hist) . . (+84) . . MRD:thl3318 (→Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?) (Tag: VisualEditor)
- 15:18, 15 May 2020 (diff | hist) . . (-10) . . MRD:thl3318 (→Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?)
- 14:20, 15 May 2020 (diff | hist) . . (-2) . . MRD:thl3318 (→Reference)
- 14:17, 15 May 2020 (diff | hist) . . (-3) . . MRD:thl3318 (→Reference)
- 14:17, 15 May 2020 (diff | hist) . . (-175) . . MRD:thl3318 (→References) (Tag: VisualEditor)
- 14:15, 15 May 2020 (diff | hist) . . (+69) . . MRD:thl3318 (→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.)
- 18:46, 14 May 2020 (diff | hist) . . (+145) . . MRD:thl3318 (→Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?)
- 18:13, 14 May 2020 (diff | hist) . . (+82) . . MRD:thl3318 (→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.)
- 18:12, 14 May 2020 (diff | hist) . . (-80) . . MRD:thl3318 (→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 table?)
- 18:12, 14 May 2020 (diff | hist) . . (+29) . . MRD:thl3318 (→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.)
- 18:12, 14 May 2020 (diff | hist) . . (0) . . N File:Surface Plot HH TS thl3318.png (current)
- 18:11, 14 May 2020 (diff | hist) . . (-6) . . MRD:thl3318 (→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: VisualEditor)
- 18:06, 14 May 2020 (diff | hist) . . (+410) . . MRD:thl3318 (→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 table?)
- 17:54, 14 May 2020 (diff | hist) . . (+54) . . MRD:thl3318 (→Report the activation energy for both reactions.)
- 17:52, 14 May 2020 (diff | hist) . . (+169) . . MRD:thl3318 (→Report the activation energy for both reactions.)
- 17:51, 14 May 2020 (diff | hist) . . (-198) . . MRD:thl3318 (→Report the activation energy for both reactions.)
- 17:51, 14 May 2020 (diff | hist) . . (0) . . N File:TS enegy vs time 2 thl3318.png (current)
- 17:50, 14 May 2020 (diff | hist) . . (0) . . N File:TS enegy vs time 1 thl3318.png (current)
- 17:43, 14 May 2020 (diff | hist) . . (+580) . . MRD:thl3318 (→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.)
- 17:28, 14 May 2020 (diff | hist) . . (+82) . . MRD:thl3318 (→Locate the approximate position of the transition state.)
- 17:26, 14 May 2020 (diff | hist) . . (+32) . . MRD:thl3318 (→Locate the approximate position of the transition state.)
- 17:26, 14 May 2020 (diff | hist) . . (0) . . N File:Surface Plot TS 3 thl3318.png (current)
- 17:24, 14 May 2020 (diff | hist) . . (+2) . . MRD:thl3318 (→Locate the approximate position of the transition state.)
- 17:23, 14 May 2020 (diff | hist) . . (+16) . . MRD:thl3318 (→Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?)
- 17:18, 14 May 2020 (diff | hist) . . (-1) . . MRD:thl3318 (→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.)
- 17:18, 14 May 2020 (diff | hist) . . (0) . . MRD:thl3318 (→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.)
- 17:17, 14 May 2020 (diff | hist) . . (+144) . . MRD:thl3318 (→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.)
- 17:16, 14 May 2020 (diff | hist) . . (+26) . . MRD:thl3318 (→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.)
- 17:15, 14 May 2020 (diff | hist) . . (0) . . N File:Momenta plot thl3318.png (current)
- 17:12, 14 May 2020 (diff | hist) . . (+70) . . MRD:thl3318 (→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.)
- 16:23, 14 May 2020 (diff | hist) . . (+270) . . MRD:thl3318 (→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.)
- 16:16, 14 May 2020 (diff | hist) . . (+181) . . MRD:thl3318 (→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.)
- 16:08, 14 May 2020 (diff | hist) . . (-3) . . MRD:thl3318 (→Locate the approximate position of the transition state.)
- 16:07, 14 May 2020 (diff | hist) . . (+356) . . MRD:thl3318 (→EXERCISE 2: F + H2 system)
- 16:03, 14 May 2020 (diff | hist) . . (-14) . . MRD:thl3318 (→EXERCISE 2: F + H2 system)
- 16:01, 14 May 2020 (diff | hist) . . (+15) . . MRD:thl3318 (→EXERCISE 2: F + H2 system)
- 15:54, 14 May 2020 (diff | hist) . . (0) . . MRD:thl3318 (→EXERCISE 2: F + H2 system)
- 15:41, 14 May 2020 (diff | hist) . . (+44) . . MRD:thl3318 (→EXERCISE 2: F + H2 system)
- 15:38, 14 May 2020 (diff | hist) . . (+10) . . MRD:thl3318 (→EXERCISE 2: F + H2 system)
- 15:17, 14 May 2020 (diff | hist) . . (+4) . . MRD:thl3318 (→EXERCISE 2: F + H2 system)
- 07:20, 14 May 2020 (diff | hist) . . (+447) . . MRD:thl3318 (→Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?)
- 11:33, 13 May 2020 (diff | hist) . . (+708) . . MRD:thl3318 (→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 table?) (Tag: VisualEditor)
- 11:15, 13 May 2020 (diff | hist) . . (-54) . . MRD:thl3318 (→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?)
- 11:14, 13 May 2020 (diff | hist) . . (-2) . . MRD:thl3318 (→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?)
- 11:07, 13 May 2020 (diff | hist) . . (-19) . . MRD:thl3318 (→EXERCISE 1: H + H2 system)
- 11:06, 13 May 2020 (diff | hist) . . (+8) . . MRD:thl3318 (→EXERCISE 1: H + H2 system)
- 10:55, 13 May 2020 (diff | hist) . . (+171) . . MRD:thl3318 (→EXERCISE 1: H + H2 system)
- 10:53, 13 May 2020 (diff | hist) . . (+94) . . MRD:thl3318 (→EXERCISE 1: H + H2 system)
- 10:53, 13 May 2020 (diff | hist) . . (+55) . . N File:Surface Plot 5 thl3318.png (Molecular Reaction Dynamics Question 4 Plot 5 (thl3318)) (current)
- 10:52, 13 May 2020 (diff | hist) . . (+55) . . N File:Surface Plot 4 thl3318.png (Molecular Reaction Dynamics Question 4 Plot 4 (thl3318)) (current)
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