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- 15:57, 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.)
- 15:54, 21 May 2019 (diff | hist) . . (0) . . N File:Aem416final2.PNG (current)
- 15:53, 21 May 2019 (diff | hist) . . (0) . . N File:Aem416final1.PNG (current)
- 15:32, 21 May 2019 (diff | hist) . . (+882) . . MRD:aem416 (→Report the activation energy for both reactions.)
- 15:31, 21 May 2019 (diff | hist) . . (0) . . N File:Aem416energytime.PNG (current)
- 15:30, 21 May 2019 (diff | hist) . . (0) . . N File:Aem416momentatime.PNG (current)
- 15:25, 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?)
- 15:25, 21 May 2019 (diff | hist) . . (0) . . N File:Aem416FHH.PNG (current)
- 15:23, 21 May 2019 (diff | hist) . . (0) . . N File:Aem416HFH.PNG (current)
- 15:18, 21 May 2019 (diff | hist) . . (0) . . N File:Aem416energy1.PNG (current)
- 15:05, 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?)
- 15:02, 21 May 2019 (diff | hist) . . (0) . . N File:Aem416hfts.PNG (current)
- 14:57, 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?)
- 14:52, 21 May 2019 (diff | hist) . . (0) . . File:Aem416hh.PNG (Aem416 uploaded a new version of File:Aem416hh.PNG) (current)
- 14:50, 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?)
- 14:50, 21 May 2019 (diff | hist) . . (0) . . N File:Aem416hf.PNG (current)
- 14:50, 21 May 2019 (diff | hist) . . (0) . . N File:Aem416hh.PNG
- 14:44, 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?)
- 14:40, 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?)
- 14:39, 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?)
- 14:37, 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?)
- 14:34, 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?)
- 14:31, 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?)
- 14:31, 21 May 2019 (diff | hist) . . (0) . . N File:Aem416table5.PNG (current)
- 14:30, 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?)
- 14:29, 21 May 2019 (diff | hist) . . (0) . . N File:Aem416table4.PNG (current)
- 14:28, 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?)
- 14:27, 21 May 2019 (diff | hist) . . (0) . . N File:Aem416table3.PNG (current)
- 14:26, 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?)
- 14:26, 21 May 2019 (diff | hist) . . (0) . . N File:Aem416table2.PNG (current)
- 14:04, 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?)
- 14:04, 21 May 2019 (diff | hist) . . (0) . . N File:Aem416table1.PNG (current)
- 14:03, 21 May 2019 (diff | hist) . . (+1,720) . . MRD:aem416 (→Comment on how the mep and the trajectory you just calculated differ.)
- 13:46, 21 May 2019 (diff | hist) . . (0) . . MRD:aem416 (→Comment on how the mep and the trajectory you just calculated differ.)
- 13:46, 21 May 2019 (diff | hist) . . (+210) . . MRD:aem416 (→Comment on how the mep and the trajectory you just calculated differ.)
- 13:44, 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.)
- 13:43, 21 May 2019 (diff | hist) . . (+75) . . MRD:aem416
- 13:43, 21 May 2019 (diff | hist) . . (0) . . N File:Aem416dynamics.PNG (current)
- 13:42, 21 May 2019 (diff | hist) . . (0) . . N File:Aem416mep.PNG (current)
- 13:36, 21 May 2019 (diff | hist) . . (+404) . . MRD:aem416 (→Excercise 1: H + H2)
- 13:32, 21 May 2019 (diff | hist) . . (0) . . N File:Aem416ts.PNG (current)
- 13:29, 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?)
- 13:29, 21 May 2019 (diff | hist) . . (0) . . N File:Aem416saddlepoint.PNG (current)
- 13:25, 21 May 2019 (diff | hist) . . (-322) . . MRD:aem416 (→Excercise 1: H + H2)
- 13:24, 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?)
- 13:15, 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?)
- 13:09, 21 May 2019 (diff | hist) . . (-2) . . MRD:aem416
- 13:08, 21 May 2019 (diff | hist) . . (+12) . . MRD:aem416
- 13:07, 21 May 2019 (diff | hist) . . (-4) . . MRD:aem416
- 13:07, 21 May 2019 (diff | hist) . . (+21) . . MRD:aem416
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