User contributions for Pt1118

21 May 2020

• 19:2019:20, 21 May 2020 diff hist +1 MRD:01547559 →Question 3:Comment on how the mep and the trajectory you just calculated differ.
• 19:1919:19, 21 May 2020 diff hist 0 N File:Dynamicpt1118.png No edit summary current
• 19:1919:19, 21 May 2020 diff hist 0 N File:Meppt1118.png No edit summary current
• 19:1619:16, 21 May 2020 diff hist −26 MRD:01547559 →Question 3:Comment on how the mep and the trajectory you just calculated differ.
• 19:1119:11, 21 May 2020 diff hist +7 MRD:01547559 →Question 3:Comment on how the mep and the trajectory you just calculated differ.
• 18:5918:59, 21 May 2020 diff hist +95 MRD:01547559 →Question 1: 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?
• 16:2316:23, 21 May 2020 diff hist 0 MRD:01547559 →Question 3:Report the activation energy for both reactions.
• 16:2316:23, 21 May 2020 diff hist 0 MRD:01547559 →Question 3:Report the activation energy for both reactions.
• 16:2116:21, 21 May 2020 diff hist +166 MRD:01547559 →Question 3:Report the activation energy for both reactions.
• 16:1516:15, 21 May 2020 diff hist +413 MRD:01547559 →Question 3:Report the activation energy for both reactions.
• 16:0116:01, 21 May 2020 diff hist +6 MRD:01547559 →Exercise 2
• 16:0116:01, 21 May 2020 diff hist −1 MRD:01547559 /* Question 1/2: 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 app...
• 16:0016:00, 21 May 2020 diff hist +432 MRD:01547559 →Exercise 2
• 15:5615:56, 21 May 2020 diff hist +16 MRD:01547559 →References
• 15:5615:56, 21 May 2020 diff hist −2 MRD:01547559 →Exercise 2
• 15:5115:51, 21 May 2020 diff hist +29 MRD:01547559 →Question 3:Report the activation energy for both reactions.
• 15:5015:50, 21 May 2020 diff hist −1 MRD:01547559 →References
• 15:5015:50, 21 May 2020 diff hist +2 MRD:01547559 →References
• 15:5015:50, 21 May 2020 diff hist +477 MRD:01547559 →References
• 15:4815:48, 21 May 2020 diff hist +258 MRD:01547559 →Question 3:Report the activation energy for both reactions.
• 15:3915:39, 21 May 2020 diff hist 0 MRD:01547559 /* Question 1/2: 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 app...
• 15:3815:38, 21 May 2020 diff hist 0 N File:HHFtspt1118.png No edit summary current
• 15:3815:38, 21 May 2020 diff hist +471 MRD:01547559 /* Question 1/2: 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 app...
• 15:3015:30, 21 May 2020 diff hist +71 MRD:01547559 →Exercise 2
• 15:2915:29, 21 May 2020 diff hist +41 MRD:01547559 →Exercise 2
• 13:0413:04, 21 May 2020 diff hist +1 MRD:01547559 →Question 1: 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?
• 12:4512:45, 21 May 2020 diff hist +59 MRD:01547559 /* Question 1: 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 appro...
• 12:3612:36, 21 May 2020 diff hist +185 MRD:01547559 →Question 5: Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?
• 12:2712:27, 21 May 2020 diff hist +132 MRD:01547559 →Question 5: Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?
• 12:2412:24, 21 May 2020 diff hist +475 MRD:01547559 →Exercise 2
• 12:1812:18, 21 May 2020 diff hist +149 MRD:01547559 →Question 5: Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?
• 12:1512:15, 21 May 2020 diff hist +88 MRD:01547559 →Molecular Reaction Dynamics: Applications to triatomic systems
• 12:1412:14, 21 May 2020 diff hist +48 MRD:01547559 →Question 5: Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?
• 12:0212:02, 21 May 2020 diff hist +3 MRD:01547559 →Question 5: Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?
• 12:0112:01, 21 May 2020 diff hist +502 MRD:01547559 →Question 5: Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?
• 11:2211:22, 21 May 2020 diff hist +310 MRD:01547559 →Question 5: Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?
• 10:5310:53, 21 May 2020 diff hist +513 MRD:01547559 →Question 1: 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?
• 10:2410:24, 21 May 2020 diff hist +243 MRD:01547559 →Exercise 2
• 10:2310:23, 21 May 2020 diff hist +25 MRD:01547559 →Exercise 1
• 09:5909:59, 21 May 2020 diff hist +129 MRD:01547559 →Question 5: Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?

20 May 2020

• 16:5416:54, 20 May 2020 diff hist +162 MRD:01547559 →Molecular Reaction Dynamics: Applications to triatomic systems
• 16:5016:50, 20 May 2020 diff hist +526 MRD:01547559 →Question 4:Complete the table 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?
• 16:4716:47, 20 May 2020 diff hist 0 MRD:01547559 →Question 4:Complete the table 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?
• 16:4216:42, 20 May 2020 diff hist +356 MRD:01547559 →Question 4:Complete the table 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?
• 16:3316:33, 20 May 2020 diff hist 0 N File:Row5 pt1118.png No edit summary current
• 16:3216:32, 20 May 2020 diff hist +180 MRD:01547559 →Question 4:Complete the table 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?
• 16:1016:10, 20 May 2020 diff hist +148 MRD:01547559 →Question 4:Complete the table 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?
• 15:5615:56, 20 May 2020 diff hist +37 MRD:01547559 →Question 4:Complete the table 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?
• 15:5415:54, 20 May 2020 diff hist 0 N File:Row3 pt1118.png No edit summary current
• 15:5415:54, 20 May 2020 diff hist 0 N File:Row4 pt1118.png No edit summary current