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User contributions for Yyl18

Results for Yyl18 talk block log uploads logs

A user with 152 edits. Account created on 6 March 2019.

22:2122:21, 8 May 2020 diff hist +23 MRD:MolecularReactionDynamics01523148 →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. Tag: Visual edit
22:1722:17, 8 May 2020 diff hist +339 MRD:MolecularReactionDynamics01523148 →Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?
22:1122:11, 8 May 2020 diff hist +111 m MRD:MolecularReactionDynamics01523148 →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. Tag: Visual edit
22:0722:07, 8 May 2020 diff hist +1 MRD:MolecularReactionDynamics01523148 →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? Tag: Visual edit
22:0622:06, 8 May 2020 diff hist +24 MRD:MolecularReactionDynamics01523148 No edit summary
22:0622:06, 8 May 2020 diff hist +100 MRD:MolecularReactionDynamics01523148 No edit summary
22:0522:05, 8 May 2020 diff hist 0 N File:2.5 01523148 2.png No edit summary current
22:0422:04, 8 May 2020 diff hist 0 N File:2.5 01523148 1.png No edit summary current
22:0422:04, 8 May 2020 diff hist 0 N File:2.4 01523148 3.png No edit summary current
22:0322:03, 8 May 2020 diff hist 0 N File:2.5 01523148 4.png No edit summary current
22:0222:02, 8 May 2020 diff hist +616 m MRD:MolecularReactionDynamics01523148 →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. Tag: Visual edit
21:3521:35, 8 May 2020 diff hist −1 MRD:MolecularReactionDynamics01523148 →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.
21:3421:34, 8 May 2020 diff hist +683 MRD:MolecularReactionDynamics01523148 →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.
20:3120:31, 8 May 2020 diff hist +79 MRD:MolecularReactionDynamics01523148 →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?
20:3020:30, 8 May 2020 diff hist +151 MRD:MolecularReactionDynamics01523148 →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.
20:1120:11, 8 May 2020 diff hist +233 MRD:MolecularReactionDynamics01523148 →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.
20:1120:11, 8 May 2020 diff hist 0 N File:2.4 01523148 3 .png No edit summary current
20:1020:10, 8 May 2020 diff hist 0 N File:2.4 01523148 2.png No edit summary current
20:0820:08, 8 May 2020 diff hist 0 N File:2.4 01523148 1.png No edit summary current
20:0520:05, 8 May 2020 diff hist +40 MRD:MolecularReactionDynamics01523148 →Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?
20:0120:01, 8 May 2020 diff hist +620 MRD:MolecularReactionDynamics01523148 →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.
19:0219:02, 8 May 2020 diff hist +63 MRD:MolecularReactionDynamics01523148 →Comment on how the mep and the trajectory you just calculated differ.
18:4018:40, 8 May 2020 diff hist +2,906 MRD:MolecularReactionDynamics01523148 No edit summary
18:3918:39, 8 May 2020 diff hist 0 File:Surface Plot 01523148 2.png Yyl18 uploaded a new version of File:Surface Plot 01523148 2.png current
18:3718:37, 8 May 2020 diff hist 0 N File:Surface Plot 01523148 2.png No edit summary
18:3618:36, 8 May 2020 diff hist 0 N File:Surface Plot 01523148 1.png No edit summary current
18:3218:32, 8 May 2020 diff hist 0 N File:Fig2.3 01523148.png No edit summary current
18:3118:31, 8 May 2020 diff hist 0 N File:Fig2.3.2 01523148.png No edit summary current
17:4617:46, 8 May 2020 diff hist 0 N File:Fig2.2 01523148 InternuclearDistance.png No edit summary current
15:1615:16, 8 May 2020 diff hist −8 MRD:MolecularReactionDynamics01523148 No edit summary
15:1315:13, 8 May 2020 diff hist +1,030 MRD:MolecularReactionDynamics01523148 No edit summary
14:5414:54, 8 May 2020 diff hist 0 N File:1.3.2 0152314888 InterNuclear MEP.png No edit summary current
14:5314:53, 8 May 2020 diff hist 0 N File:1.3.2 0152314888 InterNuclear Dynamics.png No edit summary current
14:5314:53, 8 May 2020 diff hist 0 N File:1.3.2 01523148 MomentaVsTime MEP.png No edit summary current
14:5214:52, 8 May 2020 diff hist 0 N File:1.3.2 01523148 MomentaVsTime Dynamics.png No edit summary current
14:5114:51, 8 May 2020 diff hist +221 MRD:MolecularReactionDynamics01523148 No edit summary
14:4614:46, 8 May 2020 diff hist 0 N File:MES 01523148 Internuclear.png No edit summary current
14:4514:45, 8 May 2020 diff hist 0 N File:Dynamic 01523148 Internuclear.png No edit summary current
14:2014:20, 8 May 2020 diff hist +551 m MRD:MolecularReactionDynamics01523148 No edit summary Tag: Visual edit
14:0814:08, 8 May 2020 diff hist +646 m MRD:MolecularReactionDynamics01523148 No edit summary Tag: Visual edit
13:5313:53, 8 May 2020 diff hist +3 MRD:MolecularReactionDynamics01523148 No edit summary Tag: Visual edit: Switched
13:5213:52, 8 May 2020 diff hist +24 MRD:MolecularReactionDynamics01523148 No edit summary
13:5113:51, 8 May 2020 diff hist +6 MRD:MolecularReactionDynamics01523148 No edit summary
13:4613:46, 8 May 2020 diff hist +156 MRD:MolecularReactionDynamics01523148 No edit summary
13:4613:46, 8 May 2020 diff hist 0 N File:Surface Plot 1.3.5 1523148.png No edit summary current
13:4513:45, 8 May 2020 diff hist 0 N File:Surface Plot 1.3.4 1523148.png No edit summary current
13:4513:45, 8 May 2020 diff hist 0 N File:Surface Plot 1.3.3 1523148.png No edit summary current
13:4413:44, 8 May 2020 diff hist 0 N File:Surface Plot 1.3.2 1523148.png No edit summary current
13:4413:44, 8 May 2020 diff hist +2 MRD:MolecularReactionDynamics01523148 No edit summary
13:4313:43, 8 May 2020 diff hist +38 MRD:MolecularReactionDynamics01523148 No edit summary Tag: Visual edit: Switched

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