User contributions
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- 23:05, 5 June 2020 (diff | hist) . . (+626) . . MRD:01512921 (→Exercise 2) (current)
- 22:53, 5 June 2020 (diff | hist) . . (+327) . . MRD:01512921 (→Exercise 2)
- 22:46, 5 June 2020 (diff | hist) . . (+676) . . MRD:01512921 (→Exercise 2)
- 22:30, 5 June 2020 (diff | hist) . . (+220) . . MRD:01512921 (→Exercise 1)
- 22:22, 5 June 2020 (diff | hist) . . (+872) . . MRD:01512921 (→Exercise 1)
- 22:04, 5 June 2020 (diff | hist) . . (+651) . . MRD:01512921 (→Exercise 1)
- 21:51, 5 June 2020 (diff | hist) . . (+432) . . MRD:01512921 (→Exercise 1)
- 21:43, 5 June 2020 (diff | hist) . . (+349) . . MRD:01512921 (→Exercise 1)
- 19:03, 3 June 2020 (diff | hist) . . (-61) . . MRD:ZN 01510257 (→Q10)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)
- 19:02, 3 June 2020 (diff | hist) . . (+130) . . MRD:ZN 01510257 (→Q10)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)
- 18:53, 3 June 2020 (diff | hist) . . (+212) . . MRD:ZN 01510257 (→Q10)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)
- 18:48, 3 June 2020 (diff | hist) . . (+215) . . MRD:ZN 01510257 (→Q9)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.)
- 18:45, 3 June 2020 (diff | hist) . . (+31) . . MRD:ZN 01510257 (→Q8) Report the activation energy for both reactions.)
- 18:43, 3 June 2020 (diff | hist) . . (+447) . . MRD:ZN 01510257 (→Q8) Report the activation energy for both reactions.)
- 18:31, 3 June 2020 (diff | hist) . . (+156) . . MRD:ZN 01510257 (→Q7) Locate the approximate position of the transition state.)
- 18:27, 3 June 2020 (diff | hist) . . (+269) . . MRD:ZN 01510257 (→Q6) 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?)
- 18:22, 3 June 2020 (diff | hist) . . (+193) . . MRD:ZN 01510257 (→Q5) Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?)
- 18:19, 3 June 2020 (diff | hist) . . (+302) . . MRD:ZN 01510257 (→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?)
- 18:09, 3 June 2020 (diff | hist) . . (+287) . . MRD:ZN 01510257 (→Q3) Comment on how the mep and the trajectory you just calculated differ.)
- 18:02, 3 June 2020 (diff | hist) . . (+372) . . MRD:ZN 01510257 (→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.)
- 17:53, 3 June 2020 (diff | hist) . . (+226) . . MRD:ZN 01510257 (→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?)
- 11:55, 2 June 2020 (diff | hist) . . (+255) . . MRD:Callon (→Question 7) (current)
- 11:51, 2 June 2020 (diff | hist) . . (+145) . . MRD:Callon (→Question 6)
- 11:46, 2 June 2020 (diff | hist) . . (+228) . . MRD:Callon (→Question 5)
- 11:41, 2 June 2020 (diff | hist) . . (+267) . . MRD:Callon (→Question 4)
- 11:35, 2 June 2020 (diff | hist) . . (+416) . . MRD:Callon (→Question 3)
- 11:27, 2 June 2020 (diff | hist) . . (+195) . . MRD:Callon (→Question 2)
- 11:21, 2 June 2020 (diff | hist) . . (+370) . . MRD:Callon (→Question 2)
- 11:15, 2 June 2020 (diff | hist) . . (+363) . . MRD:Callon (→Question 1)
- 11:07, 2 June 2020 (diff | hist) . . (+384) . . MRD:Callon (→Question 6)
- 00:08, 2 June 2020 (diff | hist) . . (+397) . . MRD:Callon (→Question 7)
- 23:51, 1 June 2020 (diff | hist) . . (+55) . . MRD:Callon (→Question 3)
- 23:48, 1 June 2020 (diff | hist) . . (+76) . . MRD:Callon (→Question 3)
- 23:44, 1 June 2020 (diff | hist) . . (+492) . . MRD:Callon (→Question 2)
- 23:37, 1 June 2020 (diff | hist) . . (+345) . . MRD:Callon (→Question 1)
- 21:45, 1 June 2020 (diff | hist) . . (+159) . . MRD:Ms12218 (→Polanyi's Empirical Rules) (current)
- 21:41, 1 June 2020 (diff | hist) . . (+207) . . MRD:Ms12218 (→Mechanism for the release of reaction energy for: F + H2 → HF + H)
- 21:35, 1 June 2020 (diff | hist) . . (+157) . . MRD:Ms12218 (→Activation Energies)
- 21:33, 1 June 2020 (diff | hist) . . (+361) . . MRD:Ms12218 (→Transition State)
- 21:27, 1 June 2020 (diff | hist) . . (+327) . . MRD:Ms12218 (→PES Inspection)
- 21:23, 1 June 2020 (diff | hist) . . (+130) . . MRD:Ms12218 (→Transition State Theory)
- 21:22, 1 June 2020 (diff | hist) . . (-35) . . MRD:WS4718 (→Exercise 1: H2 + H) (current)
- 21:14, 1 June 2020 (diff | hist) . . (+455) . . MRD:Ms12218 (→Reactive and Unreactive Trajectories)
- 21:03, 1 June 2020 (diff | hist) . . (+341) . . MRD:Ms12218 (→Trajectories from r1 = rts + 1, r2 = rtsː The Reaction Path)
- 20:54, 1 June 2020 (diff | hist) . . (+134) . . MRD:Ms12218 (→Trajectories from r1 = r2 : Locating the Transition State)
- 20:50, 1 June 2020 (diff | hist) . . (+368) . . MRD:Ms12218 (→Dynamics from the transition state region)
- 17:49, 1 June 2020 (diff | hist) . . (+419) . . MRD:WS4718 (→Reaction Dynamics)
- 17:40, 1 June 2020 (diff | hist) . . (+322) . . MRD:WS4718 (→Reaction Dynamics)
- 17:24, 1 June 2020 (diff | hist) . . (+38) . . MRD:WS4718 (→PES Inspection)
- 17:21, 1 June 2020 (diff | hist) . . (+246) . . MRD:WS4718 (→PES Inspection)
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