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User contributions for Amv3018

Results for Amv3018 talk block log uploads logs

A user with 374 edits. Account created on 4 March 2019.

22:3822:38, 8 May 2020 diff hist −78 MDR:AGATHE'S REPORT →QUESTION 6: Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?
22:3622:36, 8 May 2020 diff hist −27 MDR:AGATHE'S REPORT →QUESTION 6: 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.
22:2722:27, 8 May 2020 diff hist +1 MDR:AGATHE'S REPORT →QUESTION 3: 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.
22:2422:24, 8 May 2020 diff hist −2 MDR:AGATHE'S REPORT →QUESTION 6: Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?
22:1222:12, 8 May 2020 diff hist −45 MDR:AGATHE'S REPORT →QUESTION 3: 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.
22:1122:11, 8 May 2020 diff hist −122 MDR:AGATHE'S REPORT →QUESTION 6: 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.
18:2918:29, 8 May 2020 diff hist +6 MDR:AGATHE'S REPORT →QUESTION 3: Comment on how the mep and the trajectory you just calculated differ.
18:2518:25, 8 May 2020 diff hist +2 MDR:AGATHE'S REPORT /* QUESTION 4: Setup a calculation starting on the side of the reactants of F + H2, at the bottom of the well rHH = 74 pm, with a momentum pFH = -1.0 g.mol-1.pm.fs-1, and explore several values of pHH in the range -6.1 to 6.1 g.mol-1.pm.fs-1 (explore v...
18:2418:24, 8 May 2020 diff hist +39 MDR:AGATHE'S REPORT /* QUESTION 4: Setup a calculation starting on the side of the reactants of F + H2, at the bottom of the well rHH = 74 pm, with a momentum pFH = -1.0 g.mol-1.pm.fs-1, and explore several values of pHH in the range -6.1 to 6.1 g.mol-1.pm.fs-1 (explore v...
17:4417:44, 8 May 2020 diff hist +114 MDR:AGATHE'S REPORT /* QUESTION 5: 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 tab...
17:2517:25, 8 May 2020 diff hist +3 MDR:AGATHE'S REPORT →QUESTION 3: Comment on how the mep and the trajectory you just calculated differ.
17:2417:24, 8 May 2020 diff hist +1 MDR:AGATHE'S REPORT →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.
17:2317:23, 8 May 2020 diff hist −11 MDR:AGATHE'S REPORT →QUESTION 2: Report the activation energy for both reactions.
17:2217:22, 8 May 2020 diff hist +30 MDR:AGATHE'S REPORT →EXERCICE 2: F - H - H system
17:2217:22, 8 May 2020 diff hist −28 MDR:AGATHE'S REPORT /* QUESTION 1: 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? Locate the appro...
17:2117:21, 8 May 2020 diff hist +123 MDR:AGATHE'S REPORT →QUESTION 2: Report the activation energy for both reactions.
17:1817:18, 8 May 2020 diff hist +466 MDR:AGATHE'S REPORT →EXERCICE 2: F - H - H system
10:1310:13, 8 May 2020 diff hist 0 MDR:AGATHE'S REPORT →QUESTION 3: 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.
10:1010:10, 8 May 2020 diff hist 0 File:R6 01543506.png Amv3018 uploaded a new version of File:R6 01543506.png current
10:1010:10, 8 May 2020 diff hist 0 N File:R6 01543506.png No edit summary
10:0910:09, 8 May 2020 diff hist 0 N File:R5 01543506.png No edit summary current
10:0910:09, 8 May 2020 diff hist 0 N File:R4 01543506.png No edit summary current
10:0910:09, 8 May 2020 diff hist 0 N File:R3 01543506.png No edit summary current
10:0910:09, 8 May 2020 diff hist 0 N File:R2 01543506.png No edit summary current
10:0910:09, 8 May 2020 diff hist 0 N File:R1 01543506.png No edit summary current
10:0810:08, 8 May 2020 diff hist −4 MDR:AGATHE'S REPORT /* QUESTION 4: Setup a calculation starting on the side of the reactants of F + H2, at the bottom of the well rHH = 74 pm, with a momentum pFH = -1.0 g.mol-1.pm.fs-1, and explore several values of pHH in the range -6.1 to 6.1 g.mol-1.pm.fs-1 (explore v...
09:5709:57, 8 May 2020 diff hist +31 MDR:AGATHE'S REPORT →EXERCICE 2: F - H - H system
09:5609:56, 8 May 2020 diff hist −155 MDR:AGATHE'S REPORT →QUESTION 5: For the same initial position, increase slightly the momentum pFH = -1.6 g.mol-1.pm.fs-1, and considerably reduce the overall energy of the system by reducing the momentum pHH = 0.2 g.mol-1.pm.fs-1. What do you observe now?
09:5509:55, 8 May 2020 diff hist +28 MDR:AGATHE'S REPORT →EXERCICE 2: F - H - H system
09:5409:54, 8 May 2020 diff hist 0 N File:LessE 01543506.png No edit summary current
09:5409:54, 8 May 2020 diff hist +190 MDR:AGATHE'S REPORT →QUESTION 5: For the same initial position, increase slightly the momentum pFH = -1.6 g.mol-1.pm.fs-1, and considerably reduce the overall energy of the system by reducing the momentum pHH = 0.2 g.mol-1.pm.fs-1. What do you observe now?
09:5209:52, 8 May 2020 diff hist 0 N File:Lessmomenta 01543506.png No edit summary current
09:5109:51, 8 May 2020 diff hist +13 MDR:AGATHE'S REPORT →QUESTION 5: For the same initial position, increase slightly the momentum pFH = -1.6 g.mol-1.pm.fs-1, and considerably reduce the overall energy of the system by reducing the momentum pHH = 0.2 g.mol-1.pm.fs-1. What do you observe now?
09:3709:37, 8 May 2020 diff hist +29 MDR:AGATHE'S REPORT →EXERCICE 2: F - H - H system
09:3609:36, 8 May 2020 diff hist 0 N File:Ts 01543506.png No edit summary current
09:3509:35, 8 May 2020 diff hist +127 MDR:AGATHE'S REPORT /* QUESTION 1: 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? Locate the appro...
09:3209:32, 8 May 2020 diff hist +1 MDR:AGATHE'S REPORT →EXERCICE 2: F - H - H system
09:3109:31, 8 May 2020 diff hist −1 MDR:AGATHE'S REPORT /* QUESTION 1: 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? Locate the appro...
09:3009:30, 8 May 2020 diff hist 0 N File:01543506 hhf.png No edit summary current
09:3009:30, 8 May 2020 diff hist +145 MDR:AGATHE'S REPORT →EXERCICE 2: F - H - H system
09:2309:23, 8 May 2020 diff hist +1 MDR:AGATHE'S REPORT →EXERCICE 2: F - H - H system
09:2209:22, 8 May 2020 diff hist +145 MDR:AGATHE'S REPORT →EXERCICE 2: F - H - H system
09:2009:20, 8 May 2020 diff hist +134 MDR:AGATHE'S REPORT /* QUESTION 5: 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 tab...
09:1909:19, 8 May 2020 diff hist +832 MDR:AGATHE'S REPORT /* QUESTION 5: 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 tab...
09:0909:09, 8 May 2020 diff hist +128 MDR:AGATHE'S REPORT →QUESTION 3: Comment on how the mep and the trajectory you just calculated differ.
09:0709:07, 8 May 2020 diff hist +192 MDR:AGATHE'S REPORT →QUESTION 3: Comment on how the mep and the trajectory you just calculated differ.
09:0209:02, 8 May 2020 diff hist +286 MDR:AGATHE'S REPORT →QUESTION 3: Comment on how the mep and the trajectory you just calculated differ.
08:5408:54, 8 May 2020 diff hist +11 MDR:AGATHE'S REPORT /* QUESTION 5: 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 tab...
08:5008:50, 8 May 2020 diff hist +60 MDR:AGATHE'S REPORT /* QUESTION 5: 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 tab...
08:4808:48, 8 May 2020 diff hist +14 MDR:AGATHE'S REPORT →QUESTION 4: Setup a calculation where the initial positions correspond to the final positions of the trajectory you calculated above, the same final momenta values but with their signs reversed.What do you observe?

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