Jump to content

User contributions for Sw2711

Results for Sw2711 talk block log uploads logs

A user with 1,234 edits. Account created on 10 October 2011.

11:1411:14, 21 May 2018 diff hist +151 MRD:rkf75 →activation energy
11:1311:13, 21 May 2018 diff hist +246 MRD:rkf75 →PES inspection
11:1211:12, 21 May 2018 diff hist +805 MRD:rkf75 →H + H2
10:5910:59, 21 May 2018 diff hist +1,735 MRD:jl7816 →Exercise 2 current
10:4210:42, 21 May 2018 diff hist +71 MRD:jl7816 →Exercise 1
10:4110:41, 21 May 2018 diff hist +977 MRD:jl7816 →Exercise 1
10:3810:38, 21 May 2018 diff hist +119 MRD:jl7816 →Exercise 1
10:3710:37, 21 May 2018 diff hist +847 MRD:jl7816 →Exercise 1

20:2420:24, 18 May 2018 diff hist +1,366 MRD:zx616 →Exercise 2 current
20:0320:03, 18 May 2018 diff hist +276 MRD:zx616 →Exercise 2
20:0120:01, 18 May 2018 diff hist +851 MRD:zx616 →Exercise 1: H+H2 system
19:5819:58, 18 May 2018 diff hist +234 MRD:zx616 →Exercise 1: H+H2 system
19:5619:56, 18 May 2018 diff hist +1,079 MRD:zx616 →Exercise 1: H+H2 system
19:4519:45, 18 May 2018 diff hist +118 MRD:solomona →Distribution of Energy and the Efficiency of Reaction current
19:4419:44, 18 May 2018 diff hist +160 MRD:solomona →The Mechanism of Reaction Energy Release
19:3319:33, 18 May 2018 diff hist +225 MRD:MaxStocker →Reaction Dynamics current
19:2919:29, 18 May 2018 diff hist +119 MRD:solomona →Activation Energy
19:2919:29, 18 May 2018 diff hist +118 MRD:solomona →The Position of the Transition State
19:2819:28, 18 May 2018 diff hist +145 MRD:solomona →Reaction Energetics
19:2819:28, 18 May 2018 diff hist +419 MRD:solomona →The Assumptions of Transition State Theory
19:2519:25, 18 May 2018 diff hist +130 MRD:solomona →Reactive and Unreactive Trajectories
19:2319:23, 18 May 2018 diff hist +118 MRD:solomona →A Comparison of MEP and Dynamics Calculations
19:2219:22, 18 May 2018 diff hist +117 MRD:solomona →Locating the Transition State from an “Internuclear Distances vs Time” plot
19:2219:22, 18 May 2018 diff hist +7 MRD:solomona →Gradients at Transition States and Minima
19:2119:21, 18 May 2018 diff hist +2 MRD:solomona →Gradients at Transition States and Minima
19:2119:21, 18 May 2018 diff hist +1,119 MRD:solomona →Gradients at Transition States and Minima
19:1019:10, 18 May 2018 diff hist +140 MRD:MaxStocker →Early Transition states
19:0919:09, 18 May 2018 diff hist +272 MRD:MaxStocker →Polanyi's Rules
19:0519:05, 18 May 2018 diff hist +118 MRD:MaxStocker →Activation energy
19:0419:04, 18 May 2018 diff hist +117 MRD:MaxStocker →Transistion state approximation
19:0419:04, 18 May 2018 diff hist +118 MRD:MaxStocker →HF + H -> F + H2
19:0419:04, 18 May 2018 diff hist +116 MRD:MaxStocker →F + H2 -> HF + H
19:0319:03, 18 May 2018 diff hist +1,051 MRD:MaxStocker →Reactive and Unreactive trajectories
18:5818:58, 18 May 2018 diff hist +36 MRD:MaxStocker →Trajectories from r1 = rts+δ, r2 = rts
18:5818:58, 18 May 2018 diff hist +117 MRD:MaxStocker →Trajectories from r1 = rts+δ, r2 = rts
18:5818:58, 18 May 2018 diff hist +118 MRD:MaxStocker →Trajectories from r1 = r2 : locating transition state
18:5718:57, 18 May 2018 diff hist +172 MRD:MaxStocker →Dynamics from the transition state region
10:3410:34, 18 May 2018 diff hist +55 MRD:HaoyuanZhang No edit summary current
10:3110:31, 18 May 2018 diff hist −46 MRD:lydia →Q5: 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. current
10:2810:28, 18 May 2018 diff hist +817 MRD:lydia →Q5: 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.
10:2610:26, 18 May 2018 diff hist +466 MRD:EBR →Question 10 current
10:2310:23, 18 May 2018 diff hist +224 MRD:htl116 dynamic →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. current
10:2310:23, 18 May 2018 diff hist +2,144 MRD:htl116 dynamic →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.

17:1217:12, 17 May 2018 diff hist +509 MRD:htl116 dynamic →In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally?
17:0517:05, 17 May 2018 diff hist +202 MRD:htl116 dynamic →Report the activation energy for both reactions.
17:0417:04, 17 May 2018 diff hist +211 MRD:htl116 dynamic →Locate the approximate position of the transition state.
17:0317:03, 17 May 2018 diff hist +136 MRD:htl116 dynamic →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?
17:0217:02, 17 May 2018 diff hist +118 MRD:htl116 dynamic →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?
17:0117:01, 17 May 2018 diff hist +306 MRD:htl116 dynamic /* 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...
16:5816:58, 17 May 2018 diff hist +117 MRD:htl116 dynamic →Comment on how the mep and the trajectory you just calculated differ.

Retrieved from "https://chemwiki.ch.ic.ac.uk/wiki/Special:Contributions/Sw2711"