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User contributions for Pt1118

Results for Pt1118 talk block log uploads logs

A user with 350 edits. Account created on 4 March 2019.

21:0521:05, 22 May 2020 diff hist +14 MRD:01547559 →Question 3: Comment on how the mep and the trajectory you just calculated differ.
19:4919:49, 22 May 2020 diff hist +25 MRD:01547559 →Question 4: 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.
19:4319:43, 22 May 2020 diff hist +16 MRD:01547559 →Molecular Reaction Dynamics: Applications to triatomic systems
19:4119:41, 22 May 2020 diff hist +3 MRD:01547559 →Question 5: 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.
19:3919:39, 22 May 2020 diff hist +139 MRD:01547559 →Question 5: 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.
19:1319:13, 22 May 2020 diff hist −11 MRD:01547559 /* 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 values also c...
19:1219:12, 22 May 2020 diff hist −1 MRD:01547559 →Question 4: 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.
19:1019:10, 22 May 2020 diff hist −1 MRD:01547559 →Question 4: 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.
19:0919:09, 22 May 2020 diff hist 0 MRD:01547559 →Question 5: 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.
19:0619:06, 22 May 2020 diff hist +84 MRD:01547559 →Question 5: Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?
19:0319:03, 22 May 2020 diff hist +7 MRD:01547559 →Question 4: Complete the table 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?
19:0019:00, 22 May 2020 diff hist +60 MRD:01547559 →Question 4: Complete the table 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?
18:5818:58, 22 May 2020 diff hist +1 MRD:01547559 →Question 3: Comment on how the mep and the trajectory you just calculated differ.
18:5818:58, 22 May 2020 diff hist +3 MRD:01547559 →Question 3: Comment on how the mep and the trajectory you just calculated differ.
18:5618:56, 22 May 2020 diff hist +5 MRD:01547559 →Question 3: Comment on how the mep and the trajectory you just calculated differ.
18:5518:55, 22 May 2020 diff hist +9 MRD:01547559 →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.
18:4918:49, 22 May 2020 diff hist +1 MRD:01547559 →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.
18:4818:48, 22 May 2020 diff hist +211 MRD:01547559 →Question 5: 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.
18:3218:32, 22 May 2020 diff hist +164 MRD:01547559 →Question 4: 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.
18:2918:29, 22 May 2020 diff hist +281 MRD:01547559 →Question 4: 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.
18:2518:25, 22 May 2020 diff hist −320 MRD:01547559 →Question 4: 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.
18:2318:23, 22 May 2020 diff hist +7 MRD:01547559 →Question 4: 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.
18:2218:22, 22 May 2020 diff hist +77 MRD:01547559 →Question 4: 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.
18:2018:20, 22 May 2020 diff hist +17 MRD:01547559 →Question 4: 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.
18:1618:16, 22 May 2020 diff hist +4 MRD:01547559 →Question 4: 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.
18:1418:14, 22 May 2020 diff hist +13 MRD:01547559 →Question 4: 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.
18:1318:13, 22 May 2020 diff hist 0 MRD:01547559 →Question 4: 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.
18:1218:12, 22 May 2020 diff hist +90 MRD:01547559 →Question 3: Report the activation energy for both reactions.
18:0918:09, 22 May 2020 diff hist +75 MRD:01547559 /* Question 1/2: 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 app...
18:0818:08, 22 May 2020 diff hist +7 MRD:01547559 /* Question 1/2: 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 app...
18:0418:04, 22 May 2020 diff hist +9 MRD:01547559 /* Question 1/2: 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 app...
15:4915:49, 22 May 2020 diff hist 0 N File:Figure16pt1118.png No edit summary current
15:4915:49, 22 May 2020 diff hist +259 MRD:01547559 →Question 4: 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.
15:4615:46, 22 May 2020 diff hist +352 MRD:01547559 →Question 4: 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.
15:4015:40, 22 May 2020 diff hist 0 N File:Row55 pt1118.png No edit summary current
15:4015:40, 22 May 2020 diff hist 0 N File:Row44 pt1118.png No edit summary current
15:4015:40, 22 May 2020 diff hist 0 N File:Row33 pt1118.png No edit summary current
15:4015:40, 22 May 2020 diff hist 0 N File:Row22 pt1118.png No edit summary current
15:3915:39, 22 May 2020 diff hist 0 N File:Row11 pt1118.png No edit summary current
15:3915:39, 22 May 2020 diff hist +2,421 MRD:01547559 →Question 4: 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.
14:3814:38, 22 May 2020 diff hist +3 MRD:01547559 →Question 4: 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.
14:3814:38, 22 May 2020 diff hist +666 MRD:01547559 →Question 5: 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.
14:3314:33, 22 May 2020 diff hist −313 MRD:01547559 →Question 5: 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.
14:3014:30, 22 May 2020 diff hist 0 N File:Pt1118noreaction.png No edit summary current
14:2814:28, 22 May 2020 diff hist +1,128 MRD:01547559 →Question 5: 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.
14:1814:18, 22 May 2020 diff hist −2 MRD:01547559 /* Question 1/2: 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 app...
14:1614:16, 22 May 2020 diff hist +77 MRD:01547559 →Question 4: 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.
14:1414:14, 22 May 2020 diff hist +1,555 MRD:01547559 →Question 4: 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.
13:4813:48, 22 May 2020 diff hist +262 MRD:01547559 →Question 4: 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.
13:3613:36, 22 May 2020 diff hist +268 MRD:01547559 →Question 4: 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.

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