User contributions for Fd915
30 October 2017
- 15:5315:53, 30 October 2017 diff hist +191 Rep:Year3 MgO fd915 No edit summary
- 15:4615:46, 30 October 2017 diff hist +80 Rep:Year3 MgO fd915 No edit summary
- 15:4515:45, 30 October 2017 diff hist 0 N File:First Phonon Disperson Curves.PNG No edit summary current
- 15:3815:38, 30 October 2017 diff hist +10 Rep:Year3 MgO fd915 →Questions
- 15:3815:38, 30 October 2017 diff hist +150 Rep:Year3 MgO fd915 →Questions
- 15:3615:36, 30 October 2017 diff hist +3 Rep:Year3 MgO fd915 →Exercise 2:
- 15:3515:35, 30 October 2017 diff hist −13 Rep:Year3 MgO fd915 →Exercise 2:
- 15:3415:34, 30 October 2017 diff hist +3 Rep:Year3 MgO fd915 →Exercise 2:
- 15:3415:34, 30 October 2017 diff hist −12 Rep:Year3 MgO fd915 →Exercise 2:
- 15:3015:30, 30 October 2017 diff hist −71 Rep:Year3 MgO fd915 →Exercise 2:
- 15:2915:29, 30 October 2017 diff hist 0 N File:16x16x16 shrinking factor.PNG No edit summary current
- 15:2915:29, 30 October 2017 diff hist 0 N File:8x8x8 shrinking factor.PNG No edit summary current
- 15:2915:29, 30 October 2017 diff hist 0 N File:6x6x6 shrinking factor.PNG No edit summary current
- 15:2915:29, 30 October 2017 diff hist 0 Rep:Year3 MgO fd915 →Exercise 2:
- 15:2715:27, 30 October 2017 diff hist +85 Rep:Year3 MgO fd915 →Exercise 2:
- 15:2615:26, 30 October 2017 diff hist +85 Rep:Year3 MgO fd915 →Exercise 2:
- 15:2515:25, 30 October 2017 diff hist 0 N File:4x4x4 shrinking factor.PNG No edit summary current
- 15:2115:21, 30 October 2017 diff hist 0 N File:2x2x2 shrinking factor.PNG No edit summary current
- 15:2115:21, 30 October 2017 diff hist +204 Rep:Year3 MgO fd915 →Exercise 2:
- 15:2015:20, 30 October 2017 diff hist +201 Rep:Year3 MgO fd915 →Exercise 2:
- 15:1615:16, 30 October 2017 diff hist 0 N File:1x1x1 shrinking factor.PNG No edit summary current
- 14:3514:35, 30 October 2017 diff hist −3 Rep:Year3 MgO fd915 →Questions Tag: Visual edit
- 14:3314:33, 30 October 2017 diff hist +602 Rep:Year3 MgO fd915 No edit summary Tag: Visual edit: Switched
- 13:4513:45, 30 October 2017 diff hist +48 N Rep:Year3 MgO fd915 Created page with "=== Introduction === ==== Is this working? ===="
19 May 2017
- 16:5216:52, 19 May 2017 diff hist +12 MRD:felixdcifd915 →Comment on how the MEP and the trajectory you just calculated differ
- 16:5116:51, 19 May 2017 diff hist +41 MRD:felixdcifd915 →Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Internuclear Distances vs Time” screenshot for a relevant trajectory.
- 16:5016:50, 19 May 2017 diff hist −619 MRD:felixdcifd915 →References:
- 16:4916:49, 19 May 2017 diff hist +703 MRD:felixdcifd915 No edit summary
- 16:4416:44, 19 May 2017 diff hist 0 MRD:felixdcifd915 No edit summary Tag: Visual edit
- 16:4316:43, 19 May 2017 diff hist +18 MRD:felixdcifd915 →Discuss how the distribution of energy between different modes (translation and vibration) affects the efficiency of the reaction, and how this is influenced by the position of the transition state.
- 16:4116:41, 19 May 2017 diff hist +79 MRD:felixdcifd915 →Discuss how the distribution of energy between different modes (translation and vibration) affects the efficiency of the reaction, and how this is influenced by the position of the transition state.
- 16:3916:39, 19 May 2017 diff hist +306 MRD:felixdcifd915 →Discuss how the distribution of energy between different modes (translation and vibration) affects the efficiency of the reaction, and how this is influenced by the position of the transition state.
- 16:3416:34, 19 May 2017 diff hist +17 MRD:felixdcifd915 →Discuss how the distribution of energy between different modes (translation and vibration) affects the efficiency of the reaction, and how this is influenced by the position of the transition state.
- 16:3316:33, 19 May 2017 diff hist 0 N File:VERY LAST PIC.png No edit summary current
- 16:3316:33, 19 May 2017 diff hist +20 MRD:felixdcifd915 →Discuss how the distribution of energy between different modes (translation and vibration) affects the efficiency of the reaction, and how this is influenced by the position of the transition state.
- 16:3216:32, 19 May 2017 diff hist 0 N File:VERY SECOND LAST.png No edit summary current
- 16:3116:31, 19 May 2017 diff hist +833 MRD:felixdcifd915 →Discuss how the distribution of energy between different modes (translation and vibration) affects the efficiency of the reaction, and how this is influenced by the position of the transition state.
- 16:1816:18, 19 May 2017 diff hist +908 MRD:felixdcifd915 →Discuss how the distribution of energy between different modes (translation and vibration) affects the efficiency of the reaction, and how this is influenced by the position of the transition state. Tag: Visual edit
- 16:0916:09, 19 May 2017 diff hist −85 MRD:felixdcifd915 →Report the activation energy for both reactions.
- 16:0816:08, 19 May 2017 diff hist +586 MRD:felixdcifd915 →Report the activation energy for both reactions.
- 15:5515:55, 19 May 2017 diff hist +3 MRD:felixdcifd915 No edit summary
- 15:5515:55, 19 May 2017 diff hist −80 MRD:felixdcifd915 →Discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally?
- 15:5315:53, 19 May 2017 diff hist +565 MRD:felixdcifd915 →Discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally? Tag: Visual edit
- 15:4415:44, 19 May 2017 diff hist +294 MRD:felixdcifd915 No edit summary Tag: Visual edit
- 15:4015:40, 19 May 2017 diff hist +229 MRD:felixdcifd915 →Report the activation energy for both reactions. Tag: Visual edit
- 15:2515:25, 19 May 2017 diff hist +417 MRD:felixdcifd915 No edit summary Tag: Visual edit
- 15:1715:17, 19 May 2017 diff hist +105 MRD:felixdcifd915 →Locate the approximate position of the transition state Tag: Visual edit
- 15:1315:13, 19 May 2017 diff hist +152 MRD:felixdcifd915 →Locate the approximate position of the transition state
- 15:1015:10, 19 May 2017 diff hist +186 MRD:felixdcifd915 →How does this relate to the bond strength of the chemical species involved?
- 15:0415:04, 19 May 2017 diff hist +84 MRD:felixdcifd915 No edit summary Tag: Visual edit
