User contributions for Iab18
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8 May 2020
- 17:5917:59, 8 May 2020 diff hist +198 MRD:Fiesta →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. Tag: Visual edit
- 17:5317:53, 8 May 2020 diff hist +127 MRD:Fiesta →Locate the approximate position of the transition state. Tag: Visual edit
- 17:5117:51, 8 May 2020 diff hist 0 N File:01513089 Plot2.png No edit summary current
- 17:4717:47, 8 May 2020 diff hist +93 MRD:Fiesta →Comment on how the mep and the trajectory you just calculated differ. Tag: Visual edit
- 17:4517:45, 8 May 2020 diff hist +1 MRD:Fiesta →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
- 17:4417:44, 8 May 2020 diff hist +155 MRD:Fiesta →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. Tag: Visual edit
- 17:4317:43, 8 May 2020 diff hist +1,350 MRD:Fiesta →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. Tag: Visual edit
- 17:4017:40, 8 May 2020 diff hist 0 N File:01513089 Plot.png No edit summary current
- 17:3617:36, 8 May 2020 diff hist 0 N File:01513089 HH high vibration usuccessful.png No edit summary current
- 17:2617:26, 8 May 2020 diff hist 0 N File:01513089 HH low vibration success.png No edit summary current
- 17:2317:23, 8 May 2020 diff hist 0 N File:01513089 HF high vibration success.png No edit summary current
- 17:2117:21, 8 May 2020 diff hist +495 MRD:Fiesta →Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values? Tag: Visual edit
- 17:1517:15, 8 May 2020 diff hist −414 MRD:Fiesta →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. Tag: Visual edit
7 May 2020
- 18:0818:08, 7 May 2020 diff hist 0 MRD:Fiesta →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. Tag: Visual edit
- 14:1214:12, 7 May 2020 diff hist −162 MRD:Fiesta →Reaction Dynamics Tag: Visual edit
- 13:5813:58, 7 May 2020 diff hist +179 MRD:Fiesta →Reaction Dynamics Tag: Visual edit
- 13:2613:26, 7 May 2020 diff hist 0 MRD:Fiesta →Report the activation energy for both reactions. Tag: Visual edit
- 13:0213:02, 7 May 2020 diff hist +997 MRD:Fiesta →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. Tag: Visual edit
- 13:0113:01, 7 May 2020 diff hist 0 N File:01513089 HFmomentum.png No edit summary current
- 13:0013:00, 7 May 2020 diff hist 0 N File:01513089 HF sruface.png No edit summary current
- 12:4812:48, 7 May 2020 diff hist +2,454 MRD:Fiesta →Report the activation energy for both reactions. Tag: Visual edit
- 12:0012:00, 7 May 2020 diff hist +464 MRD:Fiesta →Report the activation energy for both reactions. Tag: Visual edit
- 11:5811:58, 7 May 2020 diff hist 0 N File:01513089 HH to FH.png No edit summary current
- 11:5011:50, 7 May 2020 diff hist +738 MRD:Fiesta →Report the activation energy for both reactions. Tag: Visual edit
- 10:5010:50, 7 May 2020 diff hist 0 N File:01513089 FH toHH.png No edit summary current
- 10:3710:37, 7 May 2020 diff hist +179 MRD:Fiesta →PES inspection Tag: Visual edit
- 10:2810:28, 7 May 2020 diff hist +198 MRD:Fiesta →Locate the approximate position of the transition state. Tag: Visual edit
- 10:1310:13, 7 May 2020 diff hist +102 MRD:Fiesta →Exercise 1: H + H2 system
- 10:1210:12, 7 May 2020 diff hist +1 MRD:Fiesta →Exercise 1: H + H2 system Tag: Visual edit
- 10:1210:12, 7 May 2020 diff hist 0 N File:01513089 HHH transistion point.png No edit summary current
- 10:0810:08, 7 May 2020 diff hist +1 MRD:Fiesta →Locate the approximate position of the transition state. Tag: Visual edit
- 10:0810:08, 7 May 2020 diff hist +33 MRD:Fiesta →Locate the approximate position of the transition state.
- 10:0710:07, 7 May 2020 diff hist 0 N File:01513089 FHH saddle.png No edit summary current
- 10:0610:06, 7 May 2020 diff hist +120 MRD:Fiesta →Locate the approximate position of the transition state. Tag: Visual edit
- 09:4409:44, 7 May 2020 diff hist +4 MRD:Fiesta →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?
- 09:4409:44, 7 May 2020 diff hist +35 MRD:Fiesta →Exercise 2: F - H - H system
- 09:4309:43, 7 May 2020 diff hist 0 N File:01513089 Surface PlotFHH.png No edit summary current
- 09:4309:43, 7 May 2020 diff hist +1,972 MRD:Fiesta →Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values? Tag: Visual edit
5 May 2020
- 14:4914:49, 5 May 2020 diff hist +309 MRD:Fiesta →What can you conclude from the table? Tag: Visual edit
- 14:4614:46, 5 May 2020 diff hist 0 File:01513089 Surface Plot5.png Iab18 uploaded a new version of File:01513089 Surface Plot5.png current
- 14:4614:46, 5 May 2020 diff hist 0 File:01513089 Surface Plot4.png Iab18 uploaded a new version of File:01513089 Surface Plot4.png current
- 14:4514:45, 5 May 2020 diff hist 0 File:01513089 Surface Plot3.png Iab18 uploaded a new version of File:01513089 Surface Plot3.png current
- 14:4514:45, 5 May 2020 diff hist 0 File:01513089 Surface Plot2.png Iab18 uploaded a new version of File:01513089 Surface Plot2.png current
- 14:4514:45, 5 May 2020 diff hist 0 File:01513089 Surface Plot1.png Iab18 uploaded a new version of File:01513089 Surface Plot1.png current
- 14:4514:45, 5 May 2020 diff hist +723 MRD:Fiesta →Reactive and Unreactive trajectories Tag: Visual edit
- 14:0214:02, 5 May 2020 diff hist +964 MRD:Fiesta →Reactive and Unreactive trajectories Tag: Visual edit
- 13:5713:57, 5 May 2020 diff hist +15 MRD:Fiesta →Reactive and Unreactive trajectories Tag: Visual edit
- 13:5613:56, 5 May 2020 diff hist +100 MRD:Fiesta →Reactive and Unreactive trajectories
- 13:5513:55, 5 May 2020 diff hist 0 N File:01513089 Surface Plot5.png No edit summary
- 13:5413:54, 5 May 2020 diff hist 0 N File:01513089 Surface Plot4.png No edit summary