Revision history of "MRD:Jsr3217"

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(cur | prev) 15:49, 3 June 2019‎ Rk2918 (Talk | contribs)‎ . . (16,487 bytes) (+602)‎ . . (→‎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.)
(cur | prev) 15:43, 3 June 2019‎ Rk2918 (Talk | contribs)‎ . . (15,885 bytes) (+287)‎ . . (→‎Question 3: Report the activation energy for both reactions.)
(cur | prev) 15:41, 3 June 2019‎ Rk2918 (Talk | contribs)‎ . . (15,598 bytes) (+136)‎ . . (→‎Question 2: Locate the approximate position of the transition state.)
(cur | prev) 15:36, 3 June 2019‎ Rk2918 (Talk | contribs)‎ . . (15,462 bytes) (+194)‎ . . (→‎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?)
(cur | prev) 15:34, 3 June 2019‎ Rk2918 (Talk | contribs)‎ . . (15,268 bytes) (+308)‎ . . (/* 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...)
(cur | prev) 15:32, 3 June 2019‎ Rk2918 (Talk | contribs)‎ . . (14,960 bytes) (+387)‎ . . (→‎Question 3: Comment on how the MEP and the trajectory you just calculated differ.)
(cur | prev) 15:28, 3 June 2019‎ Rk2918 (Talk | contribs)‎ . . (14,573 bytes) (+20)‎ . . (→‎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?)
(cur | prev) 15:28, 3 June 2019‎ Rk2918 (Talk | contribs)‎ . . (14,553 bytes) (-85)‎ . . (→‎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?)
(cur | prev) 15:27, 3 June 2019‎ Rk2918 (Talk | contribs)‎ . . (14,638 bytes) (-3)‎ . . (→‎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?)
(cur | prev) 15:26, 3 June 2019‎ Rk2918 (Talk | contribs)‎ . . (14,641 bytes) (+284)‎ . . (→‎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?)
(cur | prev) 15:23, 3 June 2019‎ Rk2918 (Talk | contribs)‎ . . (14,357 bytes) (+426)‎ . . (→‎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?)
(cur | prev) 17:04, 24 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (13,931 bytes) (+23)‎ . . (→‎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.)
(cur | prev) 17:04, 24 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (13,908 bytes) (+616)‎ . . (→‎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.)
(cur | prev) 15:54, 24 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (13,292 bytes) (+1)‎ . . (→‎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.)
(cur | prev) 15:54, 24 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (13,291 bytes) (+31)‎ . . (→‎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.)
(cur | prev) 15:53, 24 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (13,260 bytes) (+12)‎ . . (→‎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.)
(cur | prev) 15:53, 24 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (13,248 bytes) (+13)‎ . . (→‎References)
(cur | prev) 15:52, 24 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (13,235 bytes) (+1,485)‎ . . (→‎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.)
(cur | prev) 14:56, 24 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (11,750 bytes) (+91)‎ . . (→‎References)
(cur | prev) 14:49, 24 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (11,659 bytes) (+16)‎ . . (→‎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.)
(cur | prev) 14:43, 24 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (11,643 bytes) (+373)‎ . . (→‎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.)
(cur | prev) 14:36, 24 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (11,270 bytes) (+45)‎ . . (→‎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.)
(cur | prev) 14:34, 24 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (11,225 bytes) (+11)‎ . . (→‎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.)
(cur | prev) 14:33, 24 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (11,214 bytes) (+22)‎ . . (→‎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.)
(cur | prev) 12:58, 24 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (11,192 bytes) (0)‎ . . (/* 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...)
(cur | prev) 12:56, 24 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (11,192 bytes) (-5)‎ . . (→‎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.)
(cur | prev) 12:53, 24 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (11,197 bytes) (0)‎ . . (→‎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?)
(cur | prev) 12:45, 24 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (11,197 bytes) (+2)‎ . . (→‎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?)
(cur | prev) 12:42, 24 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (11,195 bytes) (+23)‎ . . (→‎H + H2 System)
(cur | prev) 20:38, 23 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (11,172 bytes) (+40)‎ . . (→‎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?)
(cur | prev) 20:33, 23 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (11,132 bytes) (+30)‎ . . (→‎Question 3: Comment on how the MEP and the trajectory you just calculated differ.)
(cur | prev) 20:30, 23 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (11,102 bytes) (-16)‎ . . (→‎Question 3: Comment on how the MEP and the trajectory you just calculated differ.)
(cur | prev) 20:27, 23 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (11,118 bytes) (+50)‎ . . (→‎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?)
(cur | prev) 20:26, 23 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (11,068 bytes) (-7)‎ . . (→‎H + H2 System)
(cur | prev) 20:23, 23 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (11,075 bytes) (+3)‎ . . (→‎Question 3: Comment on how the MEP and the trajectory you just calculated differ.)
(cur | prev) 20:19, 23 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (11,072 bytes) (+6)‎ . . (→‎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?)
(cur | prev) 20:17, 23 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (11,066 bytes) (0)‎ . . (→‎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?)
(cur | prev) 20:16, 23 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (11,066 bytes) (+44)‎ . . (→‎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?)
(cur | prev) 20:15, 23 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (11,022 bytes) (+44)‎ . . (→‎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?)
(cur | prev) 20:12, 23 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (10,978 bytes) (+4)‎ . . (→‎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?)
(cur | prev) 20:05, 23 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (10,974 bytes) (+69)‎ . . (→‎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?)
(cur | prev) 20:04, 23 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (10,905 bytes) (-154)‎ . . (→‎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?)
(cur | prev) 20:01, 23 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (11,059 bytes) (-1)‎ . . (→‎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?)
(cur | prev) 18:20, 23 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (11,060 bytes) (+1)‎ . . (→‎Question 3: Report the activation energy for both reactions.)
(cur | prev) 18:13, 23 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (11,059 bytes) (+501)‎ . . (→‎Question 3: Report the activation energy for both reactions.)
(cur | prev) 18:00, 23 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (10,558 bytes) (+520)‎ . . (→‎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?)
(cur | prev) 17:48, 23 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (10,038 bytes) (-67)‎ . . (→‎F - H - H system)
(cur | prev) 17:47, 23 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (10,105 bytes) (+53)‎ . . (→‎F - H - H system)
(cur | prev) 17:47, 23 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (10,052 bytes) (+325)‎ . . (→‎F - H - H system)
(cur | prev) 17:43, 23 May 2019‎ Jsr3217 (Talk | contribs)‎ . . (9,727 bytes) (+66)‎ . . (→‎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?)

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