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User contributions for Lz3717

Results for Lz3717 talk block log uploads logs

A user with 533 edits. Account created on 19 February 2018.

19:4019:40, 21 May 2019 diff hist +2 MRD:lz3717 →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.
19:4019:40, 21 May 2019 diff hist +10 MRD:lz3717 →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.
19:4019:40, 21 May 2019 diff hist +13 MRD:lz3717 →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.
19:4019:40, 21 May 2019 diff hist −18 MRD:lz3717 →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?
19:4019:40, 21 May 2019 diff hist +18 MRD:lz3717 →Exercise 1: H + H2 system
19:3819:38, 21 May 2019 diff hist +305 MRD:lz3717 →Q9: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.
19:3719:37, 21 May 2019 diff hist −5 MRD:lz3717 →Q9: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.
19:3619:36, 21 May 2019 diff hist 0 N File:Lz3717 lowvibration HHF.png No edit summary current
19:3519:35, 21 May 2019 diff hist +3 MRD:lz3717 →Q9: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.
19:3419:34, 21 May 2019 diff hist 0 N File:Lz3717 highvibration HHF.png No edit summary current
19:3319:33, 21 May 2019 diff hist +583 MRD:lz3717 →Q9: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.
19:2519:25, 21 May 2019 diff hist +185 MRD:lz3717 →Q9: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.
19:2319:23, 21 May 2019 diff hist +108 MRD:lz3717 →Q9: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.
19:2119:21, 21 May 2019 diff hist +201 MRD:lz3717 →Q9: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.
19:1819:18, 21 May 2019 diff hist +1 MRD:lz3717 →Q9: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.
19:1819:18, 21 May 2019 diff hist +78 MRD:lz3717 →Q9: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.
19:1719:17, 21 May 2019 diff hist 0 N File:Lz3717 highvibration FH2.png No edit summary current
19:1619:16, 21 May 2019 diff hist +66 MRD:lz3717 →Q9: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.
19:1419:14, 21 May 2019 diff hist 0 N File:Lz3717 lowvibration FH2.png No edit summary current
19:1319:13, 21 May 2019 diff hist +251 MRD:lz3717 →Q9: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.
18:3918:39, 21 May 2019 diff hist +208 MRD:lz3717 →Q8: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.
18:3818:38, 21 May 2019 diff hist +472 MRD:lz3717 →Q8: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.
18:3018:30, 21 May 2019 diff hist +102 MRD:lz3717 →Q8: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.
18:2118:21, 21 May 2019 diff hist +119 MRD:lz3717 →Q8: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.
18:1918:19, 21 May 2019 diff hist 0 N File:Lz3717 momentum FH2.png No edit summary current
17:5017:50, 21 May 2019 diff hist +3 MRD:lz3717 →Q8: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.
17:4917:49, 21 May 2019 diff hist 0 N File:Lz3717 energy123 FH2.png No edit summary current
17:4817:48, 21 May 2019 diff hist +12 MRD:lz3717 →Q8: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.
17:4717:47, 21 May 2019 diff hist 0 N File:Lz3717 contour123 FH2.png No edit summary current
17:4517:45, 21 May 2019 diff hist +229 MRD:lz3717 →Q8: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.
17:4417:44, 21 May 2019 diff hist +231 MRD:lz3717 →Q8: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.
17:0517:05, 21 May 2019 diff hist +166 MRD:lz3717 →Q7:Report the activation energy for both reactions.
17:0317:03, 21 May 2019 diff hist +2 MRD:lz3717 →Q7:Report the activation energy for both reactions.
17:0317:03, 21 May 2019 diff hist +196 MRD:lz3717 →Q7:Report the activation energy for both reactions.
16:5916:59, 21 May 2019 diff hist +2 MRD:lz3717 →Q7:Report the activation energy for both reactions.
16:5816:58, 21 May 2019 diff hist 0 N File:Lz3717 energy HHF.png No edit summary current
16:4016:40, 21 May 2019 diff hist +6 MRD:lz3717 →Q7:Report the activation energy for both reactions.
16:4016:40, 21 May 2019 diff hist +118 MRD:lz3717 →Q7:Report the activation energy for both reactions.
16:3716:37, 21 May 2019 diff hist +9 MRD:lz3717 →Q7:Report the activation energy for both reactions.
16:3716:37, 21 May 2019 diff hist +17 MRD:lz3717 →Q7:Report the activation energy for both reactions.
16:3616:36, 21 May 2019 diff hist +230 MRD:lz3717 →Q7:Report the activation energy for both reactions.
16:2916:29, 21 May 2019 diff hist 0 N File:Lz3717 energy FH2.png No edit summary current
16:2916:29, 21 May 2019 diff hist +225 MRD:lz3717 →Q7:Report the activation energy for both reactions.
16:2916:29, 21 May 2019 diff hist +12 MRD:lz3717 /* Q6:By the inspecting the potential energy surfaces,classify the F + H2 and H+HF reactions according to their energies(exothermic or endothermic).How does this relate to the bond strength of the chemical species involved?Locate the approximate positi...
16:2816:28, 21 May 2019 diff hist +12 MRD:lz3717 /* Q6:By the inspecting the potential energy surfaces,classify the F + H2 and H+HF reactions according to their energies(exothermic or endothermic).How does this relate to the bond strength of the chemical species involved?Locate the approximate positi...
16:2716:27, 21 May 2019 diff hist +6 MRD:lz3717 →Q3:Comment on how the mep and the trajectory you just calculated differ.
16:2716:27, 21 May 2019 diff hist +44 MRD:lz3717 →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?
16:1316:13, 21 May 2019 diff hist +97 MRD:lz3717 /* Q6:By the inspecting the potential energy surfaces,classify the F + H2 and H+HF reactions according to their energies(exothermic or endothermic).How does this relate to the bond strength of the chemical species involved?Locate the approximate positi...
15:5515:55, 21 May 2019 diff hist +2 MRD:lz3717 /* Q6:By the inspecting the potential energy surfaces,classify the F + H2 and H+HF reactions according to their energies(exothermic or endothermic).How does this relate to the bond strength of the chemical species involved?Locate the approximate positi...
15:5515:55, 21 May 2019 diff hist +467 MRD:lz3717 →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?

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