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User contributions for Sa13018

Results for Sa13018 talk block log uploads logs

A user with 193 edits. Account created on 11 March 2019.

22:5722:57, 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: Visual edit
22:5622:56, 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: Visual edit
22:5522:55, 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...
22:5422:54, 8 May 2020 diff hist 0 N File:Table 5 sa13018.png No edit summary current
22:5422:54, 8 May 2020 diff hist 0 N File:Table 4 sa13018.png No edit summary current
22:5322:53, 8 May 2020 diff hist 0 N File:Table 3 sa13018.png No edit summary current
22:5322:53, 8 May 2020 diff hist 0 N File:Table 2 sa13018.png No edit summary current
22:5222:52, 8 May 2020 diff hist 0 N File:Table 1 sa13018.png No edit summary current
22:4722:47, 8 May 2020 diff hist +2,621 MRD:01512675 →Question 5: Efficiency of reaction
22:3622:36, 8 May 2020 diff hist +2,251 MRD:01512675 →Question 4: The release of Reaction Energy
22:3122:31, 8 May 2020 diff hist 0 N File:Energy vs time endo.png No edit summary current
22:2322:23, 8 May 2020 diff hist 0 N File:Momenta vs time plot endo.png No edit summary current
22:2122:21, 8 May 2020 diff hist 0 N File:Reactive path endo PES.png No edit summary current
22:1922:19, 8 May 2020 diff hist 0 N File:Reactive path endo contour.png No edit summary current
21:5821:58, 8 May 2020 diff hist +26 MRD:01512675 →Question 3: Report the activation energy for both reactions.
21:5721:57, 8 May 2020 diff hist +771 MRD:01512675 →Question 3: Activation energy
21:4921:49, 8 May 2020 diff hist 0 N File:Screenshot 2020-05-08 at 22.47.21.png No edit summary current
21:4421:44, 8 May 2020 diff hist +561 MRD:01512675 →Question 2: Transition state distance
21:3821:38, 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?
21:3621:36, 8 May 2020 diff hist +564 MRD:01512675 →Question 1: Energetics and bond strength
21:3021:30, 8 May 2020 diff hist +104 MRD:01512675 →Question 5: Transition State Theory Predictions
21:3021:30, 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: Visual edit
20:4420:44, 8 May 2020 diff hist +204 MRD:01512675 →Question 4: Reactive and Unreactive Trajectories
20:4120:41, 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?
20:4020:40, 8 May 2020 diff hist +29 MRD:01512675 →Question 3: Comment on how the MEP and the trajectory you just calculated differ.
20:3720:37, 8 May 2020 diff hist +229 MRD:01512675 →Question 3: Comment on how the MEP and the trajectory you just calculated differ.
20:3520:35, 8 May 2020 diff hist −391 MRD:01512675 →Question 3: The Minimum Energy Path (MEP)
20:3120:31, 8 May 2020 diff hist 0 N File:Mep plot sa13018.png No edit summary current
20:3020:30, 8 May 2020 diff hist 0 N File:Dynamics plot sa13018.png No edit summary current
20:1920:19, 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.
20:1820:18, 8 May 2020 diff hist −105 MRD:01512675 →Question 2: Locating the transition state
20:1820:18, 8 May 2020 diff hist 0 N File:Contour plot trs1.png No edit summary current
20:1720:17, 8 May 2020 diff hist 0 N File:Internuclear dist v time 1.png No edit summary current
20:0620:06, 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?
20:0420:04, 8 May 2020 diff hist +653 MRD:01512675 →Question 1: The Transition State Region
14:1914:19, 8 May 2020 diff hist +4 MRD:01512675 →Question 3: Activation energy Tag: Visual edit
14:1814:18, 8 May 2020 diff hist +15 MRD:01512675 →Question 3: Activation energy
14:1714:17, 8 May 2020 diff hist −1 MRD:01512675 →Question 2: Transition state distance
14:1614:16, 8 May 2020 diff hist −4 MRD:01512675 →Question 3: Activation energy
14:1414:14, 8 May 2020 diff hist 0 N File:Transition state to min 2.png No edit summary current
14:1414:14, 8 May 2020 diff hist +558 MRD:01512675 →Question 3: Activation energy Tag: Visual edit
14:0314:03, 8 May 2020 diff hist +17 MRD:01512675 →Question 3: Activation energy Tag: Visual edit
13:0313:03, 8 May 2020 diff hist +242 MRD:01512675 →Question 3: Activation energy Tag: Visual edit
12:5812:58, 8 May 2020 diff hist 0 MRD:01512675 →Question 3: Activation energy
12:5812:58, 8 May 2020 diff hist +14 MRD:01512675 →Question 3: Activation energy
12:5612:56, 8 May 2020 diff hist 0 MRD:01512675 →Question 3: Activation energy
12:5612:56, 8 May 2020 diff hist 0 N File:Transition state to min en vs time.png No edit summary current
12:5512:55, 8 May 2020 diff hist +5 MRD:01512675 →Question 3: Activation energy
12:5412:54, 8 May 2020 diff hist +43 MRD:01512675 →Question 3: Activation energy
12:5312:53, 8 May 2020 diff hist 0 N File:Transition state to minimum.png No edit summary current

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