User contributions for Cmb1517

14 May 2019

• 16:1416:14, 14 May 2019 diff hist +6 Rep:Mod:CMB22301333464 →B3LYP/6-31G(d.p) level
• 16:1016:10, 14 May 2019 diff hist −1 Rep:Mod:CMB22301333464 →B3LYP/6-31G(d.p) level
• 16:0916:09, 14 May 2019 diff hist +147 Rep:Mod:CMB22301333464 →B3LYP/6-31G(d.p) level
• 16:0816:08, 14 May 2019 diff hist −22 Rep:Mod:CMB22301333464 →BH3
• 16:0716:07, 14 May 2019 diff hist 0 N File:CMB BH3 FREQ.LOG No edit summary current
• 16:0216:02, 14 May 2019 diff hist +3 Rep:Mod:CMB22301333464 →B3LYP/6-31G(d.p) level
• 16:0216:02, 14 May 2019 diff hist +94 Rep:Mod:CMB22301333464 →BH3
• 16:0116:01, 14 May 2019 diff hist 0 N File:CMB BH3 SYM2 OPT 631G DP - COPY.LOG No edit summary current
• 15:5715:57, 14 May 2019 diff hist +291 Rep:Mod:CMB22301333464 →BH3
• 15:5515:55, 14 May 2019 diff hist +1 Rep:Mod:CMB22301333464 No edit summary
• 15:5415:54, 14 May 2019 diff hist 0 N File:CMBBH31.PNG No edit summary current
• 15:5315:53, 14 May 2019 diff hist +21 Rep:Mod:CMB22301333464 No edit summary
• 15:4815:48, 14 May 2019 diff hist 0 N File:CMBBH3.PNG No edit summary current
• 15:4715:47, 14 May 2019 diff hist +34 Rep:Mod:CMB22301333464 →BH3
• 15:3915:39, 14 May 2019 diff hist +22 N Rep:Mod:CMB22301333464 Created page with "=== BH₃ ==="

10 May 2019

• 16:5216:52, 10 May 2019 diff hist +3 MRD:CMB01333464Y2 →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.
• 16:4916:49, 10 May 2019 diff hist +29 MRD:CMB01333464Y2 →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.
• 16:4816:48, 10 May 2019 diff hist +99 MRD:CMB01333464Y2 →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.
• 16:4516:45, 10 May 2019 diff hist +14 MRD:CMB01333464Y2 →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.
• 16:4416:44, 10 May 2019 diff hist −1 MRD:CMB01333464Y2 →Reaction Dynamics
• 16:4416:44, 10 May 2019 diff hist +28 MRD:CMB01333464Y2 →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.
• 16:4116:41, 10 May 2019 diff hist +202 MRD:CMB01333464Y2 →Reaction Dynamics
• 16:3916:39, 10 May 2019 diff hist −1 MRD:CMB01333464Y2 →Report the activation energy for both reactions
• 16:3816:38, 10 May 2019 diff hist −237 MRD:CMB01333464Y2 →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?
• 16:3016:30, 10 May 2019 diff hist +778 MRD:CMB01333464Y2 →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.
• 16:2316:23, 10 May 2019 diff hist +48 MRD:CMB01333464Y2 →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.
• 16:2116:21, 10 May 2019 diff hist 0 N File:CMBBP3.png No edit summary current
• 16:2016:20, 10 May 2019 diff hist 0 N File:CMBBP2.png No edit summary current
• 16:2016:20, 10 May 2019 diff hist +52 MRD:CMB01333464Y2 →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.
• 16:1716:17, 10 May 2019 diff hist +39 MRD:CMB01333464Y2 →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.
• 16:1616:16, 10 May 2019 diff hist +360 MRD:CMB01333464Y2 →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, 10 May 2019 diff hist 0 N File:CMBBP1.png No edit summary current
• 16:0416:04, 10 May 2019 diff hist +18 MRD:CMB01333464Y2 →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.
• 16:0416:04, 10 May 2019 diff hist +112 MRD:CMB01333464Y2 →References
• 16:0316:03, 10 May 2019 diff hist +187 MRD:CMB01333464Y2 →References
• 15:5415:54, 10 May 2019 diff hist +19 MRD:CMB01333464Y2 →References
• 15:5415:54, 10 May 2019 diff hist +19 MRD:CMB01333464Y2 →Assumptions of Transition state theory
• 15:5315:53, 10 May 2019 diff hist −4 MRD:CMB01333464Y2 →References
• 15:5315:53, 10 May 2019 diff hist +19 MRD:CMB01333464Y2 →How is the transition state mathematically defined?
• 15:5215:52, 10 May 2019 diff hist +76 MRD:CMB01333464Y2 →References
• 15:5115:51, 10 May 2019 diff hist +253 MRD:CMB01333464Y2 →References
• 15:4215:42, 10 May 2019 diff hist +16 MRD:CMB01333464Y2 No edit summary
• 15:4115:41, 10 May 2019 diff hist −19 MRD:CMB01333464Y2 →EXERCISE 1: H + H2 system
• 15:4115:41, 10 May 2019 diff hist +18 MRD:CMB01333464Y2 →EXERCISE 1: H + H2 system
• 15:2415:24, 10 May 2019 diff hist +600 MRD:CMB01333464Y2 →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.
• 15:1715:17, 10 May 2019 diff hist +173 MRD:CMB01333464Y2 →Reaction Dynamics
• 15:1415:14, 10 May 2019 diff hist 0 N File:CMBFTS2.png No edit summary current
• 15:1415:14, 10 May 2019 diff hist 0 N File:CMBFTS1.png No edit summary current
• 14:5914:59, 10 May 2019 diff hist +33 MRD:CMB01333464Y2 →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.
• 14:5814:58, 10 May 2019 diff hist +105 MRD:CMB01333464Y2 →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.