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Results for Jfg17 talk block log uploads logs

A user with 228 edits. Account created on 19 February 2018.

16:4816:48, 10 May 2019 diff hist +16 MRD:JFG17 01347171 /* Question 6 - 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 appr...
16:4716:47, 10 May 2019 diff hist +63 MRD:JFG17 01347171 /* Question 4 - 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 ta...
16:4516:45, 10 May 2019 diff hist +154 MRD:JFG17 01347171 /* Question 6 - 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 appr...
16:4116:41, 10 May 2019 diff hist +173 MRD:JFG17 01347171 /* Question 6 - 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 appr...
16:3716:37, 10 May 2019 diff hist +645 MRD:JFG17 01347171 →Question 5 - State what are the main assumptions of Transition State Theory. Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?
16:1616:16, 10 May 2019 diff hist −5 MRD:JFG17 01347171 →Question 3 - Comment on how the mep and the trajectory you just calculated differ.
16:1616:16, 10 May 2019 diff hist +704 MRD:JFG17 01347171 →Question 3 - Comment on how the mep and the trajectory you just calculated differ.
16:1016:10, 10 May 2019 diff hist 0 N File:JFG MEP 2.png No edit summary current
16:1016:10, 10 May 2019 diff hist 0 N File:JFG MEP 1.png No edit summary current
16:0416:04, 10 May 2019 diff hist +64 MRD:JFG17 01347171 →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.
16:0216:02, 10 May 2019 diff hist +258 MRD:JFG17 01347171 →Question 8 - 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.
15:5715:57, 10 May 2019 diff hist +243 MRD:JFG17 01347171 →Question 8 - 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.
15:5515:55, 10 May 2019 diff hist −1 MRD:JFG17 01347171 →Question 8 - 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.
15:5415:54, 10 May 2019 diff hist −1 MRD:JFG17 01347171 →Question 8 - 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.
15:5415:54, 10 May 2019 diff hist +637 MRD:JFG17 01347171 →Question 8 - 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.
15:5215:52, 10 May 2019 diff hist 0 N File:JFG POL EXO 3.png No edit summary current
15:5215:52, 10 May 2019 diff hist 0 N File:JFG POL EXO 2.png No edit summary current
15:5115:51, 10 May 2019 diff hist 0 N File:JFG POL EXO 1.png No edit summary current
15:2615:26, 10 May 2019 diff hist +868 MRD:JFG17 01347171 →Question 8 - 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.
15:1015:10, 10 May 2019 diff hist 0 MRD:JFG17 01347171 /* Question 6 - 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 appr...
15:0615:06, 10 May 2019 diff hist +221 MRD:JFG17 01347171 /* Question 4 - 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 ta...
15:0215:02, 10 May 2019 diff hist +9 MRD:JFG17 01347171 →Question 7 - 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.
14:5914:59, 10 May 2019 diff hist +642 MRD:JFG17 01347171 /* Question 6 - 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 appr...
14:5814:58, 10 May 2019 diff hist 0 N File:JFG HHF ACTIVATION ENERGY ENDO.png No edit summary current
14:5814:58, 10 May 2019 diff hist 0 N File:JFG HHF ACTIVATION ENERGY EXO.png No edit summary current
14:3914:39, 10 May 2019 diff hist +990 MRD:JFG17 01347171 /* Question 4 - 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 ta...
14:3114:31, 10 May 2019 diff hist +357 MRD:JFG17 01347171 /* Question 4 - 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 ta...
14:2914:29, 10 May 2019 diff hist +86 MRD:JFG17 01347171 →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.
14:2514:25, 10 May 2019 diff hist +147 MRD:JFG17 01347171 →Question 3 - Comment on how the mep and the trajectory you just calculated differ.
14:2014:20, 10 May 2019 diff hist −48 MRD:JFG17 01347171 →Molecular Reaction Dynamics Laboratory
14:1914:19, 10 May 2019 diff hist −16 MRD:JFG17 01347171 →Molecular Reaction Dynamics Laboratory
13:5913:59, 10 May 2019 diff hist +747 MRD:JFG17 01347171 →Question 7
13:5613:56, 10 May 2019 diff hist 0 N File:JFG HHF REACTIVE MOMENTUM.png No edit summary current
13:5613:56, 10 May 2019 diff hist 0 N File:JFG HHF REACTIVE ENERGY.png No edit summary current
13:4213:42, 10 May 2019 diff hist 0 N File:JFG HHF REACTIVE.png No edit summary current
13:2513:25, 10 May 2019 diff hist +122 MRD:JFG17 01347171 /* 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 approximate posit...
13:2013:20, 10 May 2019 diff hist 0 N File:JFG HHF TS.png No edit summary current
13:0313:03, 10 May 2019 diff hist −3 MRD:JFG17 01347171 →Question 6
13:0313:03, 10 May 2019 diff hist +829 MRD:JFG17 01347171 →Question 6
12:5812:58, 10 May 2019 diff hist 0 N File:JFG HHF SURFACE.png No edit summary current
12:4112:41, 10 May 2019 diff hist +120 MRD:JFG17 01347171 →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?
12:4012:40, 10 May 2019 diff hist 0 N File:JFG TABLE PLOT5.png No edit summary current
12:4012:40, 10 May 2019 diff hist 0 N File:JFG TABLE PLOT4.png No edit summary current
12:3912:39, 10 May 2019 diff hist 0 N File:JFG TABLE PLOT3.png No edit summary current
12:3912:39, 10 May 2019 diff hist 0 N File:JFG TABLE PLOT2.png No edit summary current
12:3912:39, 10 May 2019 diff hist 0 N File:JFG TABLE PLOT1.png No edit summary current
12:3312:33, 10 May 2019 diff hist +206 MRD:JFG17 01347171 →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?
12:2812:28, 10 May 2019 diff hist +395 MRD:JFG17 01347171 →Question 2
12:2312:23, 10 May 2019 diff hist +151 MRD:JFG17 01347171 →Question 2
12:2012:20, 10 May 2019 diff hist 0 N File:JFG TS LOCATION1.png No edit summary current

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