Jump to content

User contributions for Ps817

Results for Ps817 talk block log uploads logs

A user with 334 edits. Account created on 12 March 2018.

20:5520:55, 23 May 2019 diff hist −105 MRD:3008 →Report the activation energy for both reactions.
20:5320:53, 23 May 2019 diff hist −41 MRD:3008 →Comment on how the mep and the trajectory you just calculated differ.
20:5320:53, 23 May 2019 diff hist +108 MRD:3008 →Comment on how the mep and the trajectory you just calculated differ.
20:5320:53, 23 May 2019 diff hist +55 MRD:3008 →Comment on how the mep and the trajectory you just calculated differ.
20:5220:52, 23 May 2019 diff hist −14 MRD:3008 →Comment on how the mep and the trajectory you just calculated differ.
20:4720:47, 23 May 2019 diff hist +2,062 MRD:3008 →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.
20:4620:46, 23 May 2019 diff hist 0 N File:Exo unreactive minus 2 transl ps817.png No edit summary current
20:4520:45, 23 May 2019 diff hist 0 N File:Exo unreactive minus 3 transl ps817.png No edit summary current
20:4520:45, 23 May 2019 diff hist 0 N File:Exo unreactive minus 1 transl ps817.png No edit summary current
20:3320:33, 23 May 2019 diff hist 0 N File:Initial exo minus 2 reactive ps817.png No edit summary current
20:3220:32, 23 May 2019 diff hist 0 N File:Initial exo plus 2 reactive ps817.png No edit summary current
20:3120:31, 23 May 2019 diff hist 0 N File:Initial exo ps817.png No edit summary current
20:1520:15, 23 May 2019 diff hist 0 N File:Initial endo ps817.png No edit summary current
20:1420:14, 23 May 2019 diff hist 0 N File:Endo reactive ps817.png No edit summary current
20:0920:09, 23 May 2019 diff hist +11 MRD:3008 →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.
19:5519:55, 23 May 2019 diff hist +220 MRD:3008 →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.
19:5019:50, 23 May 2019 diff hist 0 N File:Momenta ps817.png No edit summary current
19:5019:50, 23 May 2019 diff hist 0 N File:Energy ps817.png No edit summary current
19:4919:49, 23 May 2019 diff hist 0 N File:Contour ps817.png No edit summary current
19:4419:44, 23 May 2019 diff hist +109 MRD:3008 →Report the activation energy for both reactions.
19:4319:43, 23 May 2019 diff hist +274 MRD:3008 →Report the activation energy for both reactions.
19:4119:41, 23 May 2019 diff hist 0 N File:Product energy ps817.png No edit summary current
19:4019:40, 23 May 2019 diff hist 0 N File:2Product energy ps817.png No edit summary current
19:3919:39, 23 May 2019 diff hist 0 N File:Reactant energy ps817.png No edit summary current
19:1719:17, 23 May 2019 diff hist −16 MRD:3008 /* 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 positi...
19:1619:16, 23 May 2019 diff hist +114 MRD:3008 /* 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 positi...
19:1519:15, 23 May 2019 diff hist 0 N File:Surface Plot ps817 (2).png No edit summary current
19:1419:14, 23 May 2019 diff hist 0 File:Surface Plot ps817.png Ps817 uploaded a new version of File:Surface Plot ps817.png current
19:1119:11, 23 May 2019 diff hist +118 MRD:3008 /* 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 positi...
19:1019:10, 23 May 2019 diff hist +22 MRD:3008 /* 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 positi...
19:0919:09, 23 May 2019 diff hist −12 MRD:3008 →EXERCISE 2: H-F-H system
19:0919:09, 23 May 2019 diff hist 0 N File:Surface Plot ps817.png No edit summary
19:0419:04, 23 May 2019 diff hist +6 MRD:3008 →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?
19:0419:04, 23 May 2019 diff hist +248 MRD:3008 →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?
19:0219:02, 23 May 2019 diff hist +735 MRD:3008 →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?
18:5418:54, 23 May 2019 diff hist 0 N File:5table ps817.png No edit summary current
18:5118:51, 23 May 2019 diff hist −15 MRD:3008 →Comment on how the mep and the trajectory you just calculated differ.
18:5018:50, 23 May 2019 diff hist +55 MRD:3008 →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, 23 May 2019 diff hist −21 MRD:3008 →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, 23 May 2019 diff hist −3 MRD:3008 →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?
18:4418:44, 23 May 2019 diff hist +1,042 MRD:3008 →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.
18:3418:34, 23 May 2019 diff hist −14 MRD:3008 →Report the activation energy for both reactions.
18:3418:34, 23 May 2019 diff hist +296 MRD:3008 →Report the activation energy for both reactions.
18:2618:26, 23 May 2019 diff hist +359 MRD:3008 →Report the activation energy for both reactions.
15:1615:16, 23 May 2019 diff hist +143 MRD:3008 →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.
15:1415:14, 23 May 2019 diff hist +1,340 MRD:3008 →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.
14:5214:52, 23 May 2019 diff hist +425 MRD:3008 →EXERCISE 2: H-F-H system
14:0014:00, 23 May 2019 diff hist +903 MRD:3008 /* 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 positi...
13:2413:24, 23 May 2019 diff hist −6 MRD:3008 /* 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...
13:2313:23, 23 May 2019 diff hist +7 MRD:3008 →EXERCISE 2: H-F-H system

Retrieved from "https://chemwiki.ch.ic.ac.uk/wiki/Special:Contributions/Ps817"