User contributions
(newest | oldest) View (newer 50 | older 50) (20 | 50 | 100 | 250 | 500)
- 23:57, 8 May 2020 (diff | hist) . . (+43) . . MRD:01512675 (→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 th) (Tag: VisualEditor)
- 23:56, 8 May 2020 (diff | hist) . . (+43) . . MRD:01512675 (→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 th) (Tag: VisualEditor)
- 23:55, 8 May 2020 (diff | hist) . . (+141) . . MRD:01512675 (/* 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...)
- 23:54, 8 May 2020 (diff | hist) . . (0) . . N File:Table 5 sa13018.png (current)
- 23:54, 8 May 2020 (diff | hist) . . (0) . . N File:Table 4 sa13018.png (current)
- 23:53, 8 May 2020 (diff | hist) . . (0) . . N File:Table 3 sa13018.png (current)
- 23:53, 8 May 2020 (diff | hist) . . (0) . . N File:Table 2 sa13018.png (current)
- 23:52, 8 May 2020 (diff | hist) . . (0) . . N File:Table 1 sa13018.png (current)
- 23:47, 8 May 2020 (diff | hist) . . (+2,621) . . MRD:01512675 (→Question 5: Efficiency of reaction)
- 23:36, 8 May 2020 (diff | hist) . . (+2,251) . . MRD:01512675 (→Question 4: The release of Reaction Energy)
- 23:31, 8 May 2020 (diff | hist) . . (0) . . N File:Energy vs time endo.png (current)
- 23:23, 8 May 2020 (diff | hist) . . (0) . . N File:Momenta vs time plot endo.png (current)
- 23:21, 8 May 2020 (diff | hist) . . (0) . . N File:Reactive path endo PES.png (current)
- 23:19, 8 May 2020 (diff | hist) . . (0) . . N File:Reactive path endo contour.png (current)
- 22:58, 8 May 2020 (diff | hist) . . (+26) . . MRD:01512675 (→Question 3: Report the activation energy for both reactions.)
- 22:57, 8 May 2020 (diff | hist) . . (+771) . . MRD:01512675 (→Question 3: Activation energy)
- 22:49, 8 May 2020 (diff | hist) . . (0) . . N File:Screenshot 2020-05-08 at 22.47.21.png (current)
- 22:44, 8 May 2020 (diff | hist) . . (+561) . . MRD:01512675 (→Question 2: Transition state distance)
- 22:38, 8 May 2020 (diff | hist) . . (+7) . . MRD:01512675 (→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?)
- 22:36, 8 May 2020 (diff | hist) . . (+564) . . MRD:01512675 (→Question 1: Energetics and bond strength)
- 22:30, 8 May 2020 (diff | hist) . . (+104) . . MRD:01512675 (→Question 5: Transition State Theory Predictions)
- 22:30, 8 May 2020 (diff | hist) . . (+414) . . MRD:01512675 (→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 th) (Tag: VisualEditor)
- 21:44, 8 May 2020 (diff | hist) . . (+204) . . MRD:01512675 (→Question 4: Reactive and Unreactive Trajectories)
- 21:41, 8 May 2020 (diff | hist) . . (+33) . . MRD:01512675 (→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?)
- 21:40, 8 May 2020 (diff | hist) . . (+29) . . MRD:01512675 (→Question 3: Comment on how the MEP and the trajectory you just calculated differ.)
- 21:37, 8 May 2020 (diff | hist) . . (+229) . . MRD:01512675 (→Question 3: Comment on how the MEP and the trajectory you just calculated differ.)
- 21:35, 8 May 2020 (diff | hist) . . (-391) . . MRD:01512675 (→Question 3: The Minimum Energy Path (MEP))
- 21:31, 8 May 2020 (diff | hist) . . (0) . . N File:Mep plot sa13018.png (current)
- 21:30, 8 May 2020 (diff | hist) . . (0) . . N File:Dynamics plot sa13018.png (current)
- 21:19, 8 May 2020 (diff | hist) . . (-1) . . MRD:01512675 (→Question 2: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.)
- 21:18, 8 May 2020 (diff | hist) . . (-105) . . MRD:01512675 (→Question 2: Locating the transition state)
- 21:18, 8 May 2020 (diff | hist) . . (0) . . N File:Contour plot trs1.png (current)
- 21:17, 8 May 2020 (diff | hist) . . (0) . . N File:Internuclear dist v time 1.png (current)
- 21:06, 8 May 2020 (diff | hist) . . (-5) . . MRD:01512675 (→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?)
- 21:04, 8 May 2020 (diff | hist) . . (+653) . . MRD:01512675 (→Question 1: The Transition State Region)
- 15:19, 8 May 2020 (diff | hist) . . (+4) . . MRD:01512675 (→Question 3: Activation energy) (Tag: VisualEditor)
- 15:18, 8 May 2020 (diff | hist) . . (+15) . . MRD:01512675 (→Question 3: Activation energy)
- 15:17, 8 May 2020 (diff | hist) . . (-1) . . MRD:01512675 (→Question 2: Transition state distance)
- 15:16, 8 May 2020 (diff | hist) . . (-4) . . MRD:01512675 (→Question 3: Activation energy)
- 15:14, 8 May 2020 (diff | hist) . . (0) . . N File:Transition state to min 2.png (current)
- 15:14, 8 May 2020 (diff | hist) . . (+558) . . MRD:01512675 (→Question 3: Activation energy) (Tag: VisualEditor)
- 15:03, 8 May 2020 (diff | hist) . . (+17) . . MRD:01512675 (→Question 3: Activation energy) (Tag: VisualEditor)
- 14:03, 8 May 2020 (diff | hist) . . (+242) . . MRD:01512675 (→Question 3: Activation energy) (Tag: VisualEditor)
- 13:58, 8 May 2020 (diff | hist) . . (0) . . MRD:01512675 (→Question 3: Activation energy)
- 13:58, 8 May 2020 (diff | hist) . . (+14) . . MRD:01512675 (→Question 3: Activation energy)
- 13:56, 8 May 2020 (diff | hist) . . (0) . . MRD:01512675 (→Question 3: Activation energy)
- 13:56, 8 May 2020 (diff | hist) . . (0) . . N File:Transition state to min en vs time.png (current)
- 13:55, 8 May 2020 (diff | hist) . . (+5) . . MRD:01512675 (→Question 3: Activation energy)
- 13:54, 8 May 2020 (diff | hist) . . (+43) . . MRD:01512675 (→Question 3: Activation energy)
- 13:53, 8 May 2020 (diff | hist) . . (0) . . N File:Transition state to minimum.png (current)
(newest | oldest) View (newer 50 | older 50) (20 | 50 | 100 | 250 | 500)
