User contributions for Aem416
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21 May 2019
- 14:5714:57, 21 May 2019 diff hist +1,888 MRD:aem416 →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.
- 14:5414:54, 21 May 2019 diff hist 0 N File:Aem416final2.PNG No edit summary current
- 14:5314:53, 21 May 2019 diff hist 0 N File:Aem416final1.PNG No edit summary current
- 14:3214:32, 21 May 2019 diff hist +882 MRD:aem416 →Report the activation energy for both reactions.
- 14:3114:31, 21 May 2019 diff hist 0 N File:Aem416energytime.PNG No edit summary current
- 14:3014:30, 21 May 2019 diff hist 0 N File:Aem416momentatime.PNG No edit summary current
- 14:2514:25, 21 May 2019 diff hist +338 MRD:aem416 →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?
- 14:2514:25, 21 May 2019 diff hist 0 N File:Aem416FHH.PNG No edit summary current
- 14:2314:23, 21 May 2019 diff hist 0 N File:Aem416HFH.PNG No edit summary current
- 14:1814:18, 21 May 2019 diff hist 0 N File:Aem416energy1.PNG No edit summary current
- 14:0514:05, 21 May 2019 diff hist +580 MRD:aem416 →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?
- 14:0214:02, 21 May 2019 diff hist 0 N File:Aem416hfts.PNG No edit summary current
- 13:5713:57, 21 May 2019 diff hist +465 MRD:aem416 →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?
- 13:5213:52, 21 May 2019 diff hist 0 File:Aem416hh.PNG Aem416 uploaded a new version of File:Aem416hh.PNG current
- 13:5013:50, 21 May 2019 diff hist +507 MRD:aem416 →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?
- 13:5013:50, 21 May 2019 diff hist 0 N File:Aem416hf.PNG No edit summary current
- 13:5013:50, 21 May 2019 diff hist 0 N File:Aem416hh.PNG No edit summary
- 13:4413:44, 21 May 2019 diff hist −394 MRD:aem416 →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?
- 13:4013:40, 21 May 2019 diff hist −27 MRD:aem416 →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?
- 13:3913:39, 21 May 2019 diff hist +1,518 MRD:aem416 →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?
- 13:3713:37, 21 May 2019 diff hist +290 MRD:aem416 →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?
- 13:3413:34, 21 May 2019 diff hist −134 MRD:aem416 →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?
- 13:3113:31, 21 May 2019 diff hist −2 MRD:aem416 →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?
- 13:3113:31, 21 May 2019 diff hist 0 N File:Aem416table5.PNG No edit summary current
- 13:3013:30, 21 May 2019 diff hist −2 MRD:aem416 →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?
- 13:2913:29, 21 May 2019 diff hist 0 N File:Aem416table4.PNG No edit summary current
- 13:2813:28, 21 May 2019 diff hist −2 MRD:aem416 →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?
- 13:2713:27, 21 May 2019 diff hist 0 N File:Aem416table3.PNG No edit summary current
- 13:2613:26, 21 May 2019 diff hist −1 MRD:aem416 →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?
- 13:2613:26, 21 May 2019 diff hist 0 N File:Aem416table2.PNG No edit summary current
- 13:0413:04, 21 May 2019 diff hist −1 MRD:aem416 →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?
- 13:0413:04, 21 May 2019 diff hist 0 N File:Aem416table1.PNG No edit summary current
- 13:0313:03, 21 May 2019 diff hist +1,720 MRD:aem416 →Comment on how the mep and the trajectory you just calculated differ.
- 12:4612:46, 21 May 2019 diff hist 0 MRD:aem416 →Comment on how the mep and the trajectory you just calculated differ.
- 12:4612:46, 21 May 2019 diff hist +210 MRD:aem416 →Comment on how the mep and the trajectory you just calculated differ.
- 12:4412:44, 21 May 2019 diff hist +191 MRD:aem416 →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.
- 12:4312:43, 21 May 2019 diff hist +75 MRD:aem416 No edit summary
- 12:4312:43, 21 May 2019 diff hist 0 N File:Aem416dynamics.PNG No edit summary current
- 12:4212:42, 21 May 2019 diff hist 0 N File:Aem416mep.PNG No edit summary current
- 12:3612:36, 21 May 2019 diff hist +404 MRD:aem416 →Excercise 1: H + H2
- 12:3212:32, 21 May 2019 diff hist 0 N File:Aem416ts.PNG No edit summary current
- 12:2912:29, 21 May 2019 diff hist +43 MRD:aem416 →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?
- 12:2912:29, 21 May 2019 diff hist 0 N File:Aem416saddlepoint.PNG No edit summary current
- 12:2512:25, 21 May 2019 diff hist −322 MRD:aem416 →Excercise 1: H + H2
- 12:2412:24, 21 May 2019 diff hist +604 MRD:aem416 →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?
- 12:1512:15, 21 May 2019 diff hist +236 MRD:aem416 →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?
- 12:0912:09, 21 May 2019 diff hist −2 MRD:aem416 No edit summary
- 12:0812:08, 21 May 2019 diff hist +12 MRD:aem416 No edit summary
- 12:0712:07, 21 May 2019 diff hist −4 MRD:aem416 No edit summary
- 12:0712:07, 21 May 2019 diff hist +21 MRD:aem416 No edit summary