User contributions for Ylc17
21 May 2019
- 14:1414:14, 21 May 2019 diff hist +57 Y2T301339518 No edit summary
- 14:1314:13, 21 May 2019 diff hist +47 Y2T301339518 →NH3
- 14:1214:12, 21 May 2019 diff hist 0 N File:01339518NH3631G.png No edit summary current
- 14:1014:10, 21 May 2019 diff hist +3,213 Y2T301339518 →NH3
- 14:0314:03, 21 May 2019 diff hist +17 Y2T301339518 No edit summary
- 13:4413:44, 21 May 2019 diff hist −31 Y2T301339518 →BH3
- 13:4413:44, 21 May 2019 diff hist −1 Y2T301339518 →Optimisation of BH3 via 6-31G
- 13:4013:40, 21 May 2019 diff hist +66 Y2T301339518 →Optimisation of BH3 via 6-31G
- 13:3913:39, 21 May 2019 diff hist 0 N File:01339518BH3Freq.log No edit summary current
- 13:3313:33, 21 May 2019 diff hist +68 Y2T301339518 →Optimisation of BH3 via 6-31G
- 13:3213:32, 21 May 2019 diff hist +36 Y2T301339518 →Optimisation file 3-21G
- 13:3113:31, 21 May 2019 diff hist 0 N File:01339518BH3321G.log No edit summary current
- 13:3013:30, 21 May 2019 diff hist +32 Y2T301339518 →Optimisation file 3-21G
- 13:2913:29, 21 May 2019 diff hist +17 Y2T301339518 →Optimisation file 6-31G
- 13:2813:28, 21 May 2019 diff hist +202 Y2T301339518 →Optimisation file 6-31G
- 13:2613:26, 21 May 2019 diff hist 0 N File:01339518BH3631G.log No edit summary current
- 13:2113:21, 21 May 2019 diff hist +92 Y2T301339518 →BH3
- 13:2013:20, 21 May 2019 diff hist 0 N File:01339518BH3631G.png No edit summary current
- 13:1813:18, 21 May 2019 diff hist −9 Y2T301339518 →Optimisation file 6-31G
- 13:1513:15, 21 May 2019 diff hist +1,425 Y2T301339518 →Optimisation file 6-31G
- 13:1413:14, 21 May 2019 diff hist +2,125 Y2T301339518 →Optimisation file 6-31G
- 13:0813:08, 21 May 2019 diff hist −5 Y2T301339518 →Optimisation file 3-21G
- 13:0713:07, 21 May 2019 diff hist +98 Y2T301339518 →Optimisation file 3-21G
- 13:0513:05, 21 May 2019 diff hist 0 N File:01339518BH3321G.png No edit summary current
- 13:0513:05, 21 May 2019 diff hist −1 Y2T301339518 →Optimisation file 3-21G
- 13:0213:02, 21 May 2019 diff hist +1,444 Y2T301339518 →BH3
20 May 2019
- 18:4618:46, 20 May 2019 diff hist +190 Y2T301339518 No edit summary
- 18:3518:35, 20 May 2019 diff hist +345 Y2T301339518 →BH3
- 18:1518:15, 20 May 2019 diff hist +528 Y2T301339518 →BH3
- 17:2917:29, 20 May 2019 diff hist +1 Y2T301339518 →BH3
- 13:5313:53, 20 May 2019 diff hist +49 Y2T301339518 No edit summary
- 13:5313:53, 20 May 2019 diff hist +39 N Y2T301339518 Created page with "===BH<sub>3</sub>=== RB3LYP, 6-31G(d,p)"
3 May 2019
- 15:0715:07, 3 May 2019 diff hist 0 MRD:01339518 →References
- 15:0715:07, 3 May 2019 diff hist +6 MRD:01339518 →State main assumptions of transition state theory. Given the results, how do TS theory predictions compare to experimental values for reaction rates?
- 15:0215:02, 3 May 2019 diff hist +145 MRD:01339518 →References
- 14:5814:58, 3 May 2019 diff hist +1 MRD:01339518 →State main assumptions of transition state theory. Given the results, how do TS theory predictions compare to experimental values for reaction rates?
- 14:5814:58, 3 May 2019 diff hist +1 MRD:01339518 →"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? "
- 14:5814:58, 3 May 2019 diff hist +146 MRD:01339518 →References
- 14:5614:56, 3 May 2019 diff hist 0 MRD:01339518 →"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"
- 14:5614:56, 3 May 2019 diff hist +1 MRD:01339518 →"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"
- 14:5614:56, 3 May 2019 diff hist +1 MRD:01339518 →Discuss how the distribution of energy between different modes (vibration and translation) affect the efficiency of the reaction and how this is influenced by the position of the transition state
- 14:5514:55, 3 May 2019 diff hist +101 MRD:01339518 →Discuss how the distribution of energy between different modes (vibration and translation) affect the efficiency of the reaction and how this is influenced by the position of the transition state
- 14:5414:54, 3 May 2019 diff hist +106 MRD:01339518 →Discuss how the distribution of energy between different modes (vibration and translation) affect the efficiency of the reaction and how this is influenced by the position of the transition state
- 14:5114:51, 3 May 2019 diff hist 0 N File:MRDYLCEE.png No edit summary current
- 14:4514:45, 3 May 2019 diff hist +1 MRD:01339518 →References
- 14:4514:45, 3 May 2019 diff hist +142 MRD:01339518 →References
- 14:4414:44, 3 May 2019 diff hist +1 MRD:01339518 →Discuss how the distribution of energy between different modes (vibration and translation) affect the efficiency of the reaction and how this is influenced by the position of the transition state
- 14:4414:44, 3 May 2019 diff hist +1 MRD:01339518 →Discuss how the distribution of energy between different modes (vibration and translation) affect the efficiency of the reaction and how this is influenced by the position of the transition state
- 14:4414:44, 3 May 2019 diff hist +874 MRD:01339518 →Discuss how the distribution of energy between different modes (vibration and translation) affect the efficiency of the reaction and how this is influenced by the position of the transition state
- 14:2414:24, 3 May 2019 diff hist +17 MRD:01339518 →Discuss how the distribution of energy between different modes (vibration and translation) affect the efficiency of the reaction and how this is influenced by the position of the transition state
