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User contributions for Cc3417

Results for Cc3417 talk block log uploads logs

A user with 128 edits. Account created on 26 February 2018.

12:3112:31, 17 May 2019 diff hist +6 MRD:cc3417MolDynamics →H + H2 system
12:2812:28, 17 May 2019 diff hist +8 MRD:cc3417MolDynamics →Late transition state
12:2812:28, 17 May 2019 diff hist +7 MRD:cc3417MolDynamics →Early transition state
12:2712:27, 17 May 2019 diff hist +278 MRD:cc3417MolDynamics →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.
12:2412:24, 17 May 2019 diff hist 0 N File:Lastonecc3417.png No edit summary current
12:1812:18, 17 May 2019 diff hist −8 MRD:cc3417MolDynamics →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.
12:1612:16, 17 May 2019 diff hist +3 MRD:cc3417MolDynamics →Report the activation energy for both reactions.
12:1512:15, 17 May 2019 diff hist −10 MRD:cc3417MolDynamics →Locate the approximate position of the transition state.
12:1312:13, 17 May 2019 diff hist +25 MRD:cc3417MolDynamics →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?
12:1012:10, 17 May 2019 diff hist −12 MRD:cc3417MolDynamics →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?
12:0712:07, 17 May 2019 diff hist −1 MRD:cc3417MolDynamics No edit summary Tag: Visual edit
12:0512:05, 17 May 2019 diff hist +62 MRD:cc3417MolDynamics →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 table?
11:5411:54, 17 May 2019 diff hist +120 MRD:cc3417MolDynamics →Comment on how the mep and the trajectory you just calculated differ.
11:4911:49, 17 May 2019 diff hist +2 MRD:cc3417MolDynamics →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.
11:4711:47, 17 May 2019 diff hist +1 MRD:cc3417MolDynamics →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: Visual edit
08:5008:50, 17 May 2019 diff hist +82 MRD:cc3417MolDynamics →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.
08:4908:49, 17 May 2019 diff hist +149 MRD:cc3417MolDynamics →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.
08:4508:45, 17 May 2019 diff hist +83 MRD:cc3417MolDynamics →H + H2 system
08:4308:43, 17 May 2019 diff hist +93 MRD:cc3417MolDynamics →H + H2 system
08:3908:39, 17 May 2019 diff hist +14 MRD:cc3417MolDynamics →H + H2 system
08:3908:39, 17 May 2019 diff hist +75 MRD:cc3417MolDynamics →H + H2 system
08:3908:39, 17 May 2019 diff hist −8 MRD:cc3417MolDynamics →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? Tag: Visual edit
08:3308:33, 17 May 2019 diff hist +30 MRD:cc3417MolDynamics →H + H2 system

17:2617:26, 16 May 2019 diff hist +1,238 MRD:cc3417MolDynamics →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.
17:2417:24, 16 May 2019 diff hist 0 N File:Cabbadabbadooda2.png No edit summary current
17:2317:23, 16 May 2019 diff hist 0 N File:Cabbadabbadooda.png No edit summary current
17:1217:12, 16 May 2019 diff hist 0 N File:Omgupload.png No edit summary current
17:0917:09, 16 May 2019 diff hist 0 N File:1,6-0.74--2--0.5.png No edit summary current
16:3416:34, 16 May 2019 diff hist −50 MRD:cc3417MolDynamics →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.
16:3116:31, 16 May 2019 diff hist +531 MRD:cc3417MolDynamics No edit summary
16:2916:29, 16 May 2019 diff hist −8 MRD:cc3417MolDynamics →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.
16:2516:25, 16 May 2019 diff hist 0 N File:3cc3417.png No edit summary current
16:2516:25, 16 May 2019 diff hist 0 N File:1.5cc3417.png No edit summary current
16:2416:24, 16 May 2019 diff hist 0 N File:0cc3417.png No edit summary current
16:2416:24, 16 May 2019 diff hist 0 N File:-1.5cc3417.png No edit summary current
16:2216:22, 16 May 2019 diff hist 0 N File:-3cc3417.png No edit summary current
15:4015:40, 16 May 2019 diff hist +4 MRD:cc3417MolDynamics →Report the activation energy for both reactions.
15:3815:38, 16 May 2019 diff hist +724 MRD:cc3417MolDynamics →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.
15:2115:21, 16 May 2019 diff hist +30 MRD:cc3417MolDynamics No edit summary
15:2015:20, 16 May 2019 diff hist +34 MRD:cc3417MolDynamics →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.
15:1915:19, 16 May 2019 diff hist 0 N File:Oneofthelastphotos.png No edit summary current
14:4414:44, 16 May 2019 diff hist +140 MRD:cc3417MolDynamics →Report the activation energy for both reactions.
14:3214:32, 16 May 2019 diff hist +21 MRD:cc3417MolDynamics →Report the activation energy for both reactions.
14:3214:32, 16 May 2019 diff hist 0 N File:Theothertransistion.png No edit summary current
14:1914:19, 16 May 2019 diff hist +182 MRD:cc3417MolDynamics No edit summary
14:0814:08, 16 May 2019 diff hist 0 N File:Cc3417Fhh.png No edit summary current
13:4613:46, 16 May 2019 diff hist +278 MRD:cc3417MolDynamics →Locate the approximate position of the transition state.
13:4213:42, 16 May 2019 diff hist +584 MRD:cc3417MolDynamics No edit summary
13:4113:41, 16 May 2019 diff hist 0 N File:Cc34172b2.png No edit summary current
13:3713:37, 16 May 2019 diff hist 0 N File:Cc34172b.png No edit summary current

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