User contributions
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- 10:21, 7 July 2020 (diff | hist) . . (+1,891) . . MRD:00940575 (→Molecular Reaction Dynamics Write-up) (current)
- 10:07, 7 July 2020 (diff | hist) . . (+178) . . MRD:yw14815 (→The Polanyi Rules) (current)
- 10:06, 7 July 2020 (diff | hist) . . (+107) . . MRD:yw14815 (→Reaction Dynamics)
- 10:05, 7 July 2020 (diff | hist) . . (+219) . . MRD:yw14815 (→PES Inspection)
- 10:02, 7 July 2020 (diff | hist) . . (+152) . . MRD:yw14815 (→Transition State Theory)
- 10:01, 7 July 2020 (diff | hist) . . (+129) . . MRD:yw14815 (→Reactive and Unreactive Trajectories)
- 09:57, 7 July 2020 (diff | hist) . . (+159) . . MRD:yw14815 (→Calculation of Reaction Path)
- 09:54, 7 July 2020 (diff | hist) . . (+142) . . MRD:yw14815 (→Calculation of Reaction Path)
- 09:53, 7 July 2020 (diff | hist) . . (+110) . . MRD:yw14815 (→Locating the Transition State)
- 09:52, 7 July 2020 (diff | hist) . . (+1) . . MRD:yw14815
- 09:50, 7 July 2020 (diff | hist) . . (+113) . . MRD:yw14815 (→Potential Energy Surfaces)
- 21:40, 29 May 2020 (diff | hist) . . (+315) . . MRD:mb7418 (→Reaction dynamics)
- 21:38, 29 May 2020 (diff | hist) . . (+31) . . MRD:mb7418 (→Dynamics from the transition state region)
- 21:37, 29 May 2020 (diff | hist) . . (+1) . . MRD:mb7418 (→EXERCISE 1: H + H2 system)
- 19:28, 29 May 2020 (diff | hist) . . (+119) . . MRD:mb7418 (→PES inspection)
- 19:25, 29 May 2020 (diff | hist) . . (+470) . . MRD:M4H1M4 (→Reaction dynamics) (current)
- 19:22, 29 May 2020 (diff | hist) . . (+121) . . MRD:M4H1M4 (→PES inspection)
- 19:20, 29 May 2020 (diff | hist) . . (+642) . . MRD:YX8818CX (→Part 2: F - H - H system) (current)
- 19:16, 29 May 2020 (diff | hist) . . (+336) . . MRD:xmh01513932 (→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)
- 19:14, 29 May 2020 (diff | hist) . . (+101) . . MRD:xmh01513932 (→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.)
- 19:14, 29 May 2020 (diff | hist) . . (+102) . . MRD:xmh01513932 (→Locate the approximate position of the transition state.)
- 19:13, 29 May 2020 (diff | hist) . . (+198) . . MRD:xmh01513932 (→Report the activation energy for both reactions.)
- 19:12, 29 May 2020 (diff | hist) . . (+134) . . MRD:xmh01513932 (→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?)
- 19:10, 29 May 2020 (diff | hist) . . (+231) . . MRD:01493832 (→Reaction dynamics) (current)
- 19:09, 29 May 2020 (diff | hist) . . (+428) . . MRD:01493832 (→H + HF)
- 19:06, 29 May 2020 (diff | hist) . . (+368) . . MRD:01493832 (→F + H2)
- 19:04, 29 May 2020 (diff | hist) . . (-24) . . MRD:ql2018 (→Exercise 2ː F - H - H System) (current)
- 19:03, 29 May 2020 (diff | hist) . . (+857) . . MRD:ql2018 (→Exercise 2ː F - H - H System)
- 18:59, 29 May 2020 (diff | hist) . . (+522) . . MRD：01508610 (→Reaction dynamics)
- 18:54, 29 May 2020 (diff | hist) . . (+220) . . MRD：01508610 (→PES inspection)
- 18:52, 29 May 2020 (diff | hist) . . (+258) . . MRD：01508610 (→Transition State Theory)
- 18:51, 29 May 2020 (diff | hist) . . (+204) . . MRD:ql2018 (→Exercise 1- (H+H2 System).)
- 18:49, 29 May 2020 (diff | hist) . . (+209) . . MRD:01493832 (→Reactive and unreactive trajectories)
- 18:48, 29 May 2020 (diff | hist) . . (+207) . . MRD:01493832 (→Transition State Theory)
- 18:47, 29 May 2020 (diff | hist) . . (+120) . . MRD:xmh01513932 (→Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?)
- 18:46, 29 May 2020 (diff | hist) . . (+102) . . MRD:xmh01513932 (→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?)
- 18:46, 29 May 2020 (diff | hist) . . (+102) . . MRD:YX8818CX (→Transition State Theory)
- 18:45, 29 May 2020 (diff | hist) . . (+476) . . MRD:M4H1M4 (→Transition State Theory)
- 18:41, 29 May 2020 (diff | hist) . . (+106) . . MRD:mb7418 (→Transition state theory)
- 18:40, 29 May 2020 (diff | hist) . . (+139) . . MRD:mb7418 (→Interpreting trajectories)
- 18:36, 29 May 2020 (diff | hist) . . (+299) . . MRD:mb7418 (→Trajectories from r1 = rts+δ, r2 = rts)
- 18:33, 29 May 2020 (diff | hist) . . (+99) . . MRD:mb7418 (→Locating the transition state r1=r2)
- 18:31, 29 May 2020 (diff | hist) . . (+100) . . MRD：01508610 (→Reactive and unreactive trajectories)
- 18:31, 29 May 2020 (diff | hist) . . (+466) . . MRD：01508610 (→Trajectories from rBC = rts+δ, rAB = rts)
- 18:26, 29 May 2020 (diff | hist) . . (+174) . . MRD：01508610 (→Trajectories from rAB = rBC: locating the transition state)
- 18:25, 29 May 2020 (diff | hist) . . (+113) . . MRD：01508610 (→Dynamics from the transition state region)
- 18:25, 29 May 2020 (diff | hist) . . (+140) . . MRD：01508610 (→Coordinates)
- 18:23, 29 May 2020 (diff | hist) . . (+572) . . MRD:ql2018 (→Exercise 1- (H+H2 System).)
- 18:20, 29 May 2020 (diff | hist) . . (+734) . . MRD:01493832 (→Calculating the reaction path)
- 18:17, 29 May 2020 (diff | hist) . . (+353) . . MRD:01493832 (→The transition state)
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