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User contributions for Bb1916

Results for Bb1916 talk block log uploads logs

A user with 336 edits. Account created on 6 March 2017.

16:2516:25, 25 May 2018 diff hist +105 MRD:balu →Forward Reaction
16:2516:25, 25 May 2018 diff hist +105 MRD:balu →Backward Reaction
15:4415:44, 25 May 2018 diff hist +234 MRD:balu →Backward Reaction
15:2215:22, 25 May 2018 diff hist +68 MRD:balu →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.
15:2115:21, 25 May 2018 diff hist +6 MRD:balu →Potential Energy Surfaces
15:2015:20, 25 May 2018 diff hist +56 MRD:balu →BB1916
15:1915:19, 25 May 2018 diff hist +26 MRD:balu →References
15:1915:19, 25 May 2018 diff hist +208 MRD:balu →BB1916
15:1315:13, 25 May 2018 diff hist +214 MRD:balu →Polanyi's empirical rules
15:1115:11, 25 May 2018 diff hist +101 MRD:balu →Forward Reaction
15:0915:09, 25 May 2018 diff hist +6 MRD:balu →Forward Reaction
15:0915:09, 25 May 2018 diff hist +2 MRD:balu →In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally?
15:0815:08, 25 May 2018 diff hist −21 MRD:balu →In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally?
15:0815:08, 25 May 2018 diff hist +58 MRD:balu →Report the activation energy for both reactions.
15:0715:07, 25 May 2018 diff hist +53 MRD:balu →Report the activation energy for both reactions.
15:0615:06, 25 May 2018 diff hist 0 MRD:balu →Report the activation energy for both reactions.
14:5814:58, 25 May 2018 diff hist 0 MRD:balu →Report the activation energy for both reactions.
14:5314:53, 25 May 2018 diff hist +326 MRD:balu →Plots comparing the two modi of calculating the reaction
14:3714:37, 25 May 2018 diff hist +31 MRD:balu →Plots comparing the two modi of calculating the reaction
14:3514:35, 25 May 2018 diff hist +119 MRD:balu →Plots comparing the two modi of calculating the reaction
14:3214:32, 25 May 2018 diff hist +138 MRD:balu →Plots comparing the two modi of calculating the reaction
14:2614:26, 25 May 2018 diff hist 0 MRD:balu →H2 + F
14:2514:25, 25 May 2018 diff hist +409 MRD:balu →Comment on how the mep and the trajectory you just calculated differ.
14:2514:25, 25 May 2018 diff hist 0 N File:Bb1916 dist mep.png No edit summary current
14:2414:24, 25 May 2018 diff hist 0 N File:Bb1916 dist dyn.png No edit summary current
14:2314:23, 25 May 2018 diff hist +3 MRD:balu →Comment on how the mep and the trajectory you just calculated differ.
14:2314:23, 25 May 2018 diff hist +13 MRD:balu →Comment on how the mep and the trajectory you just calculated differ.
14:2214:22, 25 May 2018 diff hist +230 MRD:balu →Comment on how the mep and the trajectory you just calculated differ.
14:2214:22, 25 May 2018 diff hist 0 N File:Bb1916 contour mep.png No edit summary current
14:2114:21, 25 May 2018 diff hist 0 N File:Bb1916 contour dyn.png No edit summary current
14:1114:11, 25 May 2018 diff hist +6 MRD:balu →Forward Reaction
14:1114:11, 25 May 2018 diff hist +3 MRD:balu →In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally?
14:1114:11, 25 May 2018 diff hist +2 MRD:balu →Report the activation energy for both reactions.
14:1014:10, 25 May 2018 diff hist +3 MRD:balu →Locate the approximate position of the transition state.
14:1014:10, 25 May 2018 diff hist +3 MRD:balu →Locate the approximate position of the transition state.
14:1014:10, 25 May 2018 diff hist +4 MRD:balu /* Complete the table by adding a column with the total energy, and another column reporting if the trajectory is reactive or unreactive. For each set of initial conditions, provide a plot of the trajectory and a small description for what happens alon...
14:0514:05, 25 May 2018 diff hist +3 MRD:balu →Potential Energy Surfaces
14:0114:01, 25 May 2018 diff hist +107 MRD:balu →Potential Energy Surfaces
13:5713:57, 25 May 2018 diff hist −175 MRD:balu →Forward Reaction
13:5613:56, 25 May 2018 diff hist +489 MRD:balu →Forward Reaction
13:5413:54, 25 May 2018 diff hist 0 N File:Bb1916 dynamics red energy.png No edit summary current
13:4913:49, 25 May 2018 diff hist −19 MRD:balu →Backward Reaction
13:4813:48, 25 May 2018 diff hist +481 MRD:balu →BB1916
13:3413:34, 25 May 2018 diff hist +1,048 MRD:balu →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?
13:1413:14, 25 May 2018 diff hist +1 MRD:balu →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?
13:1213:12, 25 May 2018 diff hist +63 MRD:balu →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?
13:1013:10, 25 May 2018 diff hist −5 MRD:balu No edit summary
13:1013:10, 25 May 2018 diff hist +5 MRD:balu →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.
13:0913:09, 25 May 2018 diff hist 0 File:Bb1916 rts 3H.png Bb1916 uploaded a new version of File:Bb1916 rts 3H.png current
13:0813:08, 25 May 2018 diff hist +74 MRD:balu →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.

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