User contributions for Jsr3217

24 May 2019

• 16:0416:04, 24 May 2019 diff hist +23 MRD:Jsr3217 →Question 5: Discuss how the distribution of energy between different modes (translation and vibration) affect the efficiency of the reaction for the reaction HF + H -> F + H2, and how this is influenced by the position of the transition state.
• 16:0416:04, 24 May 2019 diff hist 0 N File:Loooool.png No edit summary current
• 16:0416:04, 24 May 2019 diff hist +616 MRD:Jsr3217 →Question 5: Discuss how the distribution of energy between different modes (translation and vibration) affect the efficiency of the reaction for the reaction HF + H -> F + H2, and how this is influenced by the position of the transition state.
• 14:5414:54, 24 May 2019 diff hist +1 MRD:Jsr3217 →Question 5: Discuss how the distribution of energy between different modes (translation and vibration) affect the efficiency of the reaction for the reaction HF + H -> F + H2, and how this is influenced by the position of the transition state.
• 14:5414:54, 24 May 2019 diff hist +31 MRD:Jsr3217 →Question 5: Discuss how the distribution of energy between different modes (translation and vibration) affect the efficiency of the reaction for the reaction HF + H -> F + H2, and how this is influenced by the position of the transition state.
• 14:5314:53, 24 May 2019 diff hist +12 MRD:Jsr3217 →Question 5: Discuss how the distribution of energy between different modes (translation and vibration) affect the efficiency of the reaction for the reaction HF + H -> F + H2, and how this is influenced by the position of the transition state.
• 14:5314:53, 24 May 2019 diff hist +13 MRD:Jsr3217 →References
• 14:5214:52, 24 May 2019 diff hist +1,485 MRD:Jsr3217 →Question 5: Discuss how the distribution of energy between different modes (translation and vibration) affect the efficiency of the reaction for the reaction HF + H -> F + H2, and how this is influenced by the position of the transition state.
• 13:5613:56, 24 May 2019 diff hist +91 MRD:Jsr3217 →References
• 13:4913:49, 24 May 2019 diff hist +16 MRD:Jsr3217 →Question 5: Discuss how the distribution of energy between different modes (translation and vibration) affect the efficiency of the reaction for the reaction HF + H -> F + H2, and how this is influenced by the position of the transition state.
• 13:4313:43, 24 May 2019 diff hist +373 MRD:Jsr3217 →Question 4: In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy for the reaction F + H2 -> HF + H. Explain how this could be confirmed experimentally.
• 13:3613:36, 24 May 2019 diff hist +45 MRD:Jsr3217 →Question 5: 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.
• 13:3413:34, 24 May 2019 diff hist +11 MRD:Jsr3217 →Question 4: In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy for the reaction F + H2 -> HF + H. Explain how this could be confirmed experimentally.
• 13:3313:33, 24 May 2019 diff hist +22 MRD:Jsr3217 →Question 4: 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.
• 11:5811:58, 24 May 2019 diff hist 0 MRD:Jsr3217 /* 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 tab...
• 11:5611:56, 24 May 2019 diff hist −5 MRD:Jsr3217 →Question 2: What is 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.
• 11:5311:53, 24 May 2019 diff hist 0 MRD:Jsr3217 →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?
• 11:4511:45, 24 May 2019 diff hist +2 MRD:Jsr3217 →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?
• 11:4211:42, 24 May 2019 diff hist +23 MRD:Jsr3217 →H + H2 System

23 May 2019

• 19:3819:38, 23 May 2019 diff hist +40 MRD:Jsr3217 →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?
• 19:3319:33, 23 May 2019 diff hist +30 MRD:Jsr3217 →Question 3: Comment on how the MEP and the trajectory you just calculated differ.
• 19:3019:30, 23 May 2019 diff hist −16 MRD:Jsr3217 →Question 3: Comment on how the MEP and the trajectory you just calculated differ.
• 19:2719:27, 23 May 2019 diff hist +50 MRD:Jsr3217 →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?
• 19:2619:26, 23 May 2019 diff hist −7 MRD:Jsr3217 →H + H2 System
• 19:2319:23, 23 May 2019 diff hist +3 MRD:Jsr3217 →Question 3: Comment on how the MEP and the trajectory you just calculated differ.
• 19:1919:19, 23 May 2019 diff hist +6 MRD:Jsr3217 →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?
• 19:1719:17, 23 May 2019 diff hist 0 MRD:Jsr3217 →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?
• 19:1619:16, 23 May 2019 diff hist +44 MRD:Jsr3217 →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?
• 19:1519:15, 23 May 2019 diff hist +44 MRD:Jsr3217 →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?
• 19:1219:12, 23 May 2019 diff hist +4 MRD:Jsr3217 →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?
• 19:0519:05, 23 May 2019 diff hist +69 MRD:Jsr3217 →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?
• 19:0419:04, 23 May 2019 diff hist −154 MRD:Jsr3217 →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?
• 19:0119:01, 23 May 2019 diff hist −1 MRD:Jsr3217 →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?
• 17:2017:20, 23 May 2019 diff hist +1 MRD:Jsr3217 →Question 3: Report the activation energy for both reactions.
• 17:1317:13, 23 May 2019 diff hist +501 MRD:Jsr3217 →Question 3: Report the activation energy for both reactions.
• 17:0017:00, 23 May 2019 diff hist +520 MRD:Jsr3217 →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?
• 16:4816:48, 23 May 2019 diff hist −67 MRD:Jsr3217 →F - H - H system
• 16:4716:47, 23 May 2019 diff hist +53 MRD:Jsr3217 →F - H - H system
• 16:4716:47, 23 May 2019 diff hist +325 MRD:Jsr3217 →F - H - H system
• 16:4316:43, 23 May 2019 diff hist +66 MRD:Jsr3217 →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?
• 16:2616:26, 23 May 2019 diff hist +91 MRD:Jsr3217 →Question 2: Locate the approximate position of the transition state.
• 16:2316:23, 23 May 2019 diff hist +326 MRD:Jsr3217 →Question 2: Locate the approximate position of the transition state.
• 16:1216:12, 23 May 2019 diff hist −12 MRD:Jsr3217 →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?
• 16:1216:12, 23 May 2019 diff hist +1 MRD:Jsr3217 →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?
• 16:1116:11, 23 May 2019 diff hist +1,225 MRD:Jsr3217 →F - H - H system
• 14:1814:18, 23 May 2019 diff hist +231 MRD:Jsr3217 →F - H - H system
• 14:1714:17, 23 May 2019 diff hist −3 MRD:Jsr3217 →F - H - H system
• 14:1614:16, 23 May 2019 diff hist +46 MRD:Jsr3217 No edit summary
• 14:1514:15, 23 May 2019 diff hist +133 MRD:Jsr3217 →F - H - H system
• 14:1314:13, 23 May 2019 diff hist +10 MRD:Jsr3217 →Question 2: Locate the approximate position of the transition state.