User contributions
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- 23:42, 22 May 2020 (diff | hist) . . (+97) . . MRD:01535442 (→Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?) (Tag: VisualEditor)
- 23:39, 22 May 2020 (diff | hist) . . (+1,582) . . MRD:01535442 (→In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy and explain how this could be confirmed experimentally) (Tag: VisualEditor)
- 22:50, 22 May 2020 (diff | hist) . . (+38) . . MRD:01535442 (→In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy and explain how this could be confirmed experimentally) (Tag: VisualEditor)
- 22:48, 22 May 2020 (diff | hist) . . (0) . . N File:Momenta vs time 01535442.png (current)
- 22:44, 22 May 2020 (diff | hist) . . (+992) . . MRD:01535442 (→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) (Tag: VisualEditor)
- 20:41, 22 May 2020 (diff | hist) . . (+160) . . MRD:01535442 (→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?) (Tag: VisualEditor)
- 20:33, 22 May 2020 (diff | hist) . . (+554) . . MRD:01535442 (→Report the activation energy for both reactions) (Tag: VisualEditor)
- 20:32, 22 May 2020 (diff | hist) . . (0) . . N File:Surface Plot 01535442.png (current)
- 19:56, 22 May 2020 (diff | hist) . . (+170) . . MRD:01535442 (→Report the activation energy for both reactions) (Tag: VisualEditor)
- 18:40, 22 May 2020 (diff | hist) . . (+140) . . MRD:01535442 (→Locate the approximate position of the transition state) (Tag: VisualEditor)
- 18:23, 22 May 2020 (diff | hist) . . (+157) . . MRD:01535442 (→Locate the approximate position of the transition state) (Tag: VisualEditor)
- 18:21, 22 May 2020 (diff | hist) . . (0) . . N File:Contour plot with Transtion State of F-H-H 0153442.png (current)
- 18:19, 22 May 2020 (diff | hist) . . (+205) . . MRD:01535442 (→F + H2) (Tag: VisualEditor)
- 18:18, 22 May 2020 (diff | hist) . . (0) . . N File:Contour Plot of H-HF 01535442.png (current)
- 18:16, 22 May 2020 (diff | hist) . . (0) . . File:Contour Plot of F-H2 01535442.png (Tr1318 uploaded a new version of File:Contour Plot of F-H2 01535442.png) (current)
- 18:16, 22 May 2020 (diff | hist) . . (0) . . N File:Contour Plot of F-H2 01535442.png
- 18:14, 22 May 2020 (diff | hist) . . (+56) . . MRD:01535442 (→Locate the approximate position of the transition state) (Tag: VisualEditor)
- 13:39, 22 May 2020 (diff | hist) . . (+1,073) . . MRD:01535442 (→What can you conclude from the table?) (Tag: VisualEditor)
- 11:24, 22 May 2020 (diff | hist) . . (+10) . . MRD:01535442 (→On a potential energy surface diagram, how is the transition state mathematically defined?) (Tag: VisualEditor)
- 11:23, 22 May 2020 (diff | hist) . . (-20) . . MRD:01535442 (→Comment on how the mep and the trajectory you just calculated differ) (Tag: VisualEditor)
- 11:21, 22 May 2020 (diff | hist) . . (+2,527) . . MRD:01535442 (→What can you conclude from the table?) (Tag: VisualEditor)
- 10:47, 22 May 2020 (diff | hist) . . (+5) . . MRD:01535442 (→Complete the table below 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.) (Tag: VisualEditor)
- 10:37, 22 May 2020 (diff | hist) . . (+156) . . MRD:01535442 (→Complete the table below 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.) (Tag: VisualEditor)
- 10:37, 22 May 2020 (diff | hist) . . (0) . . N File:Contour Plot of Row 5 01535442.png (current)
- 10:32, 22 May 2020 (diff | hist) . . (0) . . N File:Contour Plot of Row 4 01535442.png (current)
- 10:29, 22 May 2020 (diff | hist) . . (+81) . . MRD:01535442 (→Complete the table below 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.) (Tag: VisualEditor)
- 02:03, 22 May 2020 (diff | hist) . . (0) . . N File:Contour Plot of Row 3 01535442.png (current)
- 02:02, 22 May 2020 (diff | hist) . . (+81) . . MRD:01535442 (→Complete the table below 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.) (Tag: VisualEditor)
- 02:01, 22 May 2020 (diff | hist) . . (0) . . N File:Contour Plot of Row 2 01535442.png (current)
- 01:58, 22 May 2020 (diff | hist) . . (-1) . . MRD:01535442 (→Comment on how the mep and the trajectory you just calculated differ) (Tag: VisualEditor)
- 01:57, 22 May 2020 (diff | hist) . . (0) . . MRD:01535442 (→Exercise 1: H + H2 System) (Tag: VisualEditor)
- 01:56, 22 May 2020 (diff | hist) . . (+8) . . MRD:01535442 (→Comment on how the mep and the trajectory you just calculated differ) (Tag: VisualEditor)
- 01:52, 22 May 2020 (diff | hist) . . (+27) . . MRD:01535442 (→Comment on how the mep and the trajectory you just calculated differ) (Tag: VisualEditor)
- 01:50, 22 May 2020 (diff | hist) . . (+6) . . MRD:01535442 (→Complete the table below 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.) (Tag: VisualEditor)
- 01:49, 22 May 2020 (diff | hist) . . (0) . . MRD:01535442 (→Complete the table below 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.) (Tag: VisualEditor)
- 01:46, 22 May 2020 (diff | hist) . . (+2) . . MRD:01535442 (→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) (Tag: VisualEditor)
- 01:44, 22 May 2020 (diff | hist) . . (-3) . . MRD:01535442 (→Comment on how the mep and the trajectory you just calculated differ) (Tag: VisualEditor)
- 01:43, 22 May 2020 (diff | hist) . . (+91) . . MRD:01535442 (→Complete the table below 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.) (Tag: VisualEditor)
- 01:39, 22 May 2020 (diff | hist) . . (0) . . N File:Contour Plot of P1=-2.56 P2=-5.1 01535442.png (current)
- 01:16, 22 May 2020 (diff | hist) . . (+354) . . MRD:01535442 (→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.) (Tag: VisualEditor)
- 01:12, 22 May 2020 (diff | hist) . . (+46) . . MRD:01535442 (→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.)
- 01:12, 22 May 2020 (diff | hist) . . (+370) . . MRD:01535442 (→Comment on how the mep and the trajectory you just calculated differ) (Tag: VisualEditor)
- 01:09, 22 May 2020 (diff | hist) . . (+398) . . MRD:01535442 (→Comment on how the mep and the trajectory you just calculated differ) (Tag: VisualEditor)
- 00:27, 22 May 2020 (diff | hist) . . (+165) . . MRD:01535442 (→How can the transition state be identified, and how can it be distinguished from a local minimum of the potential energy surface?) (Tag: VisualEditor)
- 22:11, 21 May 2020 (diff | hist) . . (+234) . . MRD:01535442 (→How can the transition state be identified, and how can it be distinguished from a local minimum of the potential energy surface?) (Tag: VisualEditor)
- 20:43, 21 May 2020 (diff | hist) . . (+27) . . MRD:01535442 (→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) (Tag: VisualEditor)
- 20:42, 21 May 2020 (diff | hist) . . (+3) . . MRD:01535442 (→Comment on how the mep and the trajectory you just calculated differ) (Tag: VisualEditor)
- 20:42, 21 May 2020 (diff | hist) . . (-27) . . MRD:01535442 (→Comment on how the mep and the trajectory you just calculated differ) (Tag: VisualEditor)
- 20:39, 21 May 2020 (diff | hist) . . (+171) . . MRD:01535442 (→Comment on how the mep and the trajectory you just calculated differ) (Tag: VisualEditor)
- 20:37, 21 May 2020 (diff | hist) . . (+120) . . N File:Contour Plot of Rts +1, Rts MEP 01535442.png (Contour plot of a system with slighlty displaced transtition state position, calculated using MEP (minimum energy path).) (current)
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