User contributions for Gmg216
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11 May 2018
- 15:5515:55, 11 May 2018 diff hist 0 MRD:gmg216 →MEP and dynamic analysis
- 15:5215:52, 11 May 2018 diff hist +43 MRD:gmg216 /* What value do the different components of the gradient of the potential energy surface have at a minimum and at a transition structure? Briefly explain how minima and transition structures can be distinguished using the curvature of the potential en...
- 15:5115:51, 11 May 2018 diff hist −24 MRD:gmg216 →Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Internuclear Distances vs Time” plot for a relevant trajectory. Tag: Visual edit
- 15:3815:38, 11 May 2018 diff hist +619 MRD:gmg216 →In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally?
- 15:3015:30, 11 May 2018 diff hist −3 MRD:gmg216 →In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally?
- 15:2915:29, 11 May 2018 diff hist 0 N File:-3realgmg216.PNG No edit summary current
- 15:2415:24, 11 May 2018 diff hist −198 MRD:gmg216 →In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally? Tag: Visual edit
- 15:2315:23, 11 May 2018 diff hist +3 MRD:gmg216 →In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally?
- 15:2015:20, 11 May 2018 diff hist 0 N File:-1momentagmg216.PNG No edit summary current
- 15:1915:19, 11 May 2018 diff hist 0 N File:-2momentagmg216.PNG No edit summary current
- 15:1915:19, 11 May 2018 diff hist 0 N File:3momentagmg216.PNG No edit summary current
- 15:1815:18, 11 May 2018 diff hist 0 N File:-0.80.1momentagmg216.PNG No edit summary current
- 15:1815:18, 11 May 2018 diff hist +649 MRD:gmg216 →In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally? Tag: Visual edit
- 14:5614:56, 11 May 2018 diff hist +8 MRD:gmg216 →Report the activation energy for both reactions.
- 14:4314:43, 11 May 2018 diff hist +6 MRD:gmg216 →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.
- 14:4314:43, 11 May 2018 diff hist +85 MRD:gmg216 →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.
- 14:4114:41, 11 May 2018 diff hist 0 N File:Vibrational energygmg216.PNG No edit summary current
- 14:4114:41, 11 May 2018 diff hist +663 MRD:gmg216 →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.
- 14:2814:28, 11 May 2018 diff hist −6 MRD:gmg216 →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.
- 14:2714:27, 11 May 2018 diff hist +67 MRD:gmg216 →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.
- 14:2514:25, 11 May 2018 diff hist +7 MRD:gmg216 →Report the activation energy for both reactions.
- 14:2514:25, 11 May 2018 diff hist +86 MRD:gmg216 →Report the activation energy for both reactions.
- 14:2314:23, 11 May 2018 diff hist +38 MRD:gmg216 →Report the activation energy for both reactions.
- 14:2014:20, 11 May 2018 diff hist +10 MRD:gmg216 →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
- 14:1914:19, 11 May 2018 diff hist +334 MRD:gmg216 →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.
- 14:1214:12, 11 May 2018 diff hist +311 MRD:gmg216 →Exercise 2
- 14:0314:03, 11 May 2018 diff hist +50 MRD:gmg216 →Exercise 2
- 14:0114:01, 11 May 2018 diff hist 0 N File:SucessfullHFtrajectorygmg216.PNG No edit summary current
- 14:0014:00, 11 May 2018 diff hist +775 MRD:gmg216 →Exercise 2 Tag: Visual edit
- 12:4512:45, 11 May 2018 diff hist +295 MRD:gmg216 →MEP and dynamic analysis
- 12:3912:39, 11 May 2018 diff hist +421 MRD:gmg216 →MEP and dynamic analysis Tag: Visual edit
- 12:3312:33, 11 May 2018 diff hist +127 MRD:gmg216 →MEP and dynamic analysis Tag: Visual edit
- 09:5109:51, 11 May 2018 diff hist 0 MRD:gmg216 →MEP and dynamic analysis
- 09:5009:50, 11 May 2018 diff hist +8 MRD:gmg216 →MEP and dynamic analysis
- 09:4809:48, 11 May 2018 diff hist 0 MRD:gmg216 →Exercise 2
- 09:4709:47, 11 May 2018 diff hist 0 MRD:gmg216 →Exercise 2
- 09:4609:46, 11 May 2018 diff hist +31 MRD:gmg216 →Exercise 2
- 09:4309:43, 11 May 2018 diff hist +63 MRD:gmg216 →MEP and dynamic analysis Tag: Visual edit
- 09:3709:37, 11 May 2018 diff hist +30 MRD:gmg216 →Dynamics from the transition state region
- 09:2509:25, 11 May 2018 diff hist −1 MRD:gmg216 →Exercise 2
- 09:2409:24, 11 May 2018 diff hist +4 MRD:gmg216 →Dynamics from the transition state region
- 09:2409:24, 11 May 2018 diff hist −90 MRD:gmg216 →Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Internuclear Distances vs Time” plot for a relevant trajectory.
- 09:2209:22, 11 May 2018 diff hist +365 MRD:gmg216 →Dynamics from the transition state region
- 09:1109:11, 11 May 2018 diff hist +966 MRD:gmg216 →Dynamics from the transition state region
10 May 2018
- 21:4821:48, 10 May 2018 diff hist +1,008 MRD:gmg216 →Dynamics from the transition state region
- 21:2221:22, 10 May 2018 diff hist +777 MRD:gmg216 →Exercise 2
- 20:5420:54, 10 May 2018 diff hist +6 MRD:gmg216 →Dynamics from the transition state region
- 16:1516:15, 10 May 2018 diff hist −17 MRD:gmg216 →Exercise 2
- 16:1216:12, 10 May 2018 diff hist −87 MRD:gmg216 →Exercise 2
- 16:0816:08, 10 May 2018 diff hist +103 MRD:gmg216 →Exercise 2 Tag: Visual edit