User contributions for Us1417
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24 May 2019
- 13:0913:09, 24 May 2019 diff hist −10 MRD:PhyPro →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 valuesʔ
- 13:0413:04, 24 May 2019 diff hist +108 MRD:PhyPro →Comment on how the mep and the trajectory you just calculated differ.
- 13:0113:01, 24 May 2019 diff hist +129 MRD:PhyPro →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.
- 12:5912:59, 24 May 2019 diff hist +26 MRD:PhyPro →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.
- 12:5812:58, 24 May 2019 diff hist 0 N File:Captureeeee.PNG No edit summary current
- 12:5812:58, 24 May 2019 diff hist +231 MRD:PhyPro →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.
- 12:4012:40, 24 May 2019 diff hist +31 MRD:PhyPro →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.
- 12:3912:39, 24 May 2019 diff hist +170 MRD:PhyPro →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.
- 12:3212:32, 24 May 2019 diff hist +1 MRD:PhyPro →Reference
- 12:3112:31, 24 May 2019 diff hist +159 MRD:PhyPro →Molecular Reaction Dynamicsː Computational Lab
- 12:2612:26, 24 May 2019 diff hist −1 MRD:PhyPro →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.
- 12:2612:26, 24 May 2019 diff hist −67 MRD:PhyPro →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.
- 12:2512:25, 24 May 2019 diff hist −2 MRD:PhyPro →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.
- 12:2512:25, 24 May 2019 diff hist +82 MRD:PhyPro →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.
23 May 2019
- 16:3216:32, 23 May 2019 diff hist −1 MRD:PhyPro →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.
- 16:3216:32, 23 May 2019 diff hist +433 MRD:PhyPro →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.
- 16:2816:28, 23 May 2019 diff hist +19 MRD:PhyPro →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.
- 16:2816:28, 23 May 2019 diff hist 0 N File:11111.PNG No edit summary current
- 16:2716:27, 23 May 2019 diff hist +398 MRD:PhyPro →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.
- 16:1416:14, 23 May 2019 diff hist +18 MRD:PhyPro →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.
- 16:1316:13, 23 May 2019 diff hist 0 N File:Pol.PNG No edit summary current
- 16:1216:12, 23 May 2019 diff hist +290 MRD:PhyPro →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.
- 15:5915:59, 23 May 2019 diff hist +205 MRD:PhyPro →Molecular Reaction Dynamicsː Computational Lab
- 15:5815:58, 23 May 2019 diff hist +950 MRD:PhyPro →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.
- 15:3415:34, 23 May 2019 diff hist +110 MRD:PhyPro →EXERCISE 2: F - H - H system
- 15:2315:23, 23 May 2019 diff hist +183 MRD:PhyPro →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.
- 15:2015:20, 23 May 2019 diff hist +19 MRD:PhyPro →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, 23 May 2019 diff hist 0 N File:ZZZZ.PNG No edit summary current
- 15:0615:06, 23 May 2019 diff hist +164 MRD:PhyPro →EXERCISE 2: F - H - H system
- 15:0615:06, 23 May 2019 diff hist +86 MRD:PhyPro →Report the activation energy for both reactions.
- 15:0515:05, 23 May 2019 diff hist 0 MRD:PhyPro →Molecular Reaction Dynamicsː Computational Lab
- 15:0415:04, 23 May 2019 diff hist 0 File:Capture.PNG Us1417 uploaded a new version of File:Capture.PNG current
- 15:0215:02, 23 May 2019 diff hist 0 File:Hello1.PNG Us1417 uploaded a new version of File:Hello1.PNG current
- 15:0215:02, 23 May 2019 diff hist +79 MRD:PhyPro →Report the activation energy for both reactions.
- 14:5914:59, 23 May 2019 diff hist 0 File:Hello1.PNG Us1417 uploaded a new version of File:Hello1.PNG
- 14:5614:56, 23 May 2019 diff hist +82 MRD:PhyPro /* 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? Locate the approximate posit...
- 14:4114:41, 23 May 2019 diff hist +11 MRD:PhyPro /* 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? Locate the approximate posit...
- 14:4014:40, 23 May 2019 diff hist +111 MRD:PhyPro /* 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? Locate the approximate posit...
- 14:2614:26, 23 May 2019 diff hist +86 MRD:PhyPro →Report the activation energy for both reactions.
- 14:2414:24, 23 May 2019 diff hist +24 MRD:PhyPro →Report the activation energy for both reactions.
- 14:2314:23, 23 May 2019 diff hist 0 N File:Hello.PNG No edit summary current
- 14:2314:23, 23 May 2019 diff hist +953 MRD:PhyPro →Report the activation energy for both reactions.
- 13:4213:42, 23 May 2019 diff hist +56 MRD:PhyPro →EXERCISE 2: F - H - H system
- 13:4013:40, 23 May 2019 diff hist +56 MRD:PhyPro /* 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? Locate the approximate posit...
- 13:3713:37, 23 May 2019 diff hist +351 MRD:PhyPro /* 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? Locate the approximate posit...
- 13:2413:24, 23 May 2019 diff hist +166 MRD:PhyPro →EXERCISE 2: F - H - H system
- 13:1813:18, 23 May 2019 diff hist +224 MRD:PhyPro →EXERCISE 2: F - H - H system
- 13:1613:16, 23 May 2019 diff hist +125 MRD:PhyPro /* 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? Locate the approximate posit...
- 13:1513:15, 23 May 2019 diff hist +18 MRD:PhyPro /* 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? Locate the approximate posit...
- 13:1413:14, 23 May 2019 diff hist 0 N File:Hhf2.PNG No edit summary current