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User contributions for Mc4716

Results for Mc4716 talk block log uploads logs

A user with 151 edits. Account created on 20 March 2017.

17:4317:43, 24 May 2018 diff hist +2 MRD:MC47161 →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.
17:4317:43, 24 May 2018 diff hist +134 MRD:MC47161 →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.
17:1417:14, 24 May 2018 diff hist +786 MRD:MC47161 →In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally?

14:4614:46, 23 May 2018 diff hist +1,782 MRD:MC47161 No edit summary
14:0114:01, 23 May 2018 diff hist +2,051 MRD:MC47161 No edit summary
13:5813:58, 23 May 2018 diff hist 0 N File:MC Energy of reaction F H-H.PNG No edit summary current
13:5813:58, 23 May 2018 diff hist 0 N File:MC Momenta of reaction F H-H.PNG No edit summary current
12:5912:59, 23 May 2018 diff hist 0 N File:MC Transition state of H2 F.PNG No edit summary current

15:5615:56, 22 May 2018 diff hist +488 MRD:MC47161 No edit summary
15:5515:55, 22 May 2018 diff hist +196 MRD:MC47161 No edit summary
15:5315:53, 22 May 2018 diff hist +989 MRD:MC47161 →Complete the table by adding a column with the total energy, and another column reporting if the trajectory is reactive or unreactive.
15:4515:45, 22 May 2018 diff hist +1,579 MRD:MC47161 →Complete the table by adding a column with the total energy, and another column reporting if the trajectory is reactive or unreactive.
15:1015:10, 22 May 2018 diff hist +18 MRD:MC47161 →Complete the table by adding a column with the total energy, and another column reporting if the trajectory is reactive or unreactive.
15:0215:02, 22 May 2018 diff hist +1,135 MRD:MC47161 →H-H H
15:0115:01, 22 May 2018 diff hist 0 N File:MC -2.5 -5.2 plot.PNG No edit summary current
15:0115:01, 22 May 2018 diff hist 0 N File:MC -2.5 -5 plot.PNG No edit summary current
15:0015:00, 22 May 2018 diff hist 0 N File:MC -1.25 -2.5 plot.PNG No edit summary current
14:5914:59, 22 May 2018 diff hist 0 N File:MC -1.5 -2.5 plot.PNG No edit summary current
14:5714:57, 22 May 2018 diff hist 0 N File:MC -1.5 -2 plot.PNG No edit summary current
14:1914:19, 22 May 2018 diff hist +91 MRD:MC47161 →H-H H
14:1714:17, 22 May 2018 diff hist +419 MRD:MC47161 →H-H H
14:1214:12, 22 May 2018 diff hist 0 N File:MC 0.907744 Transition state position graph zoom.PNG No edit summary current
14:1214:12, 22 May 2018 diff hist 0 N File:MC 0.907744 Transition state position graph.PNG No edit summary current
14:1114:11, 22 May 2018 diff hist 0 N File:MC 0.9 Transition state position graph zoom.PNG No edit summary current
14:1014:10, 22 May 2018 diff hist 0 N File:MC 0.9 Transition state position graph.PNG No edit summary current
14:0514:05, 22 May 2018 diff hist +1,370 N MRD:MC47161 Created page with "=H-H H= What value do the different components of the gradient of the potential energy surface have at a minimum and at a transition structure? A minimum on the a potential..."

16:3616:36, 11 May 2018 diff hist +149 CompChem2:mc4716 →Comparisons
16:2416:24, 11 May 2018 diff hist −11 CompChem2:mc4716 →Energy Calculation
16:2016:20, 11 May 2018 diff hist +1 CompChem2:mc4716 →Molecular Orbitals for BH3
16:2016:20, 11 May 2018 diff hist −1 CompChem2:mc4716 →Molecular Orbitals for BH3
16:1616:16, 11 May 2018 diff hist +832 CompChem2:mc4716 No edit summary
15:5515:55, 11 May 2018 diff hist +4,125 CompChem2:mc4716 No edit summary
14:2114:21, 11 May 2018 diff hist +4 CompChem2:mc4716 No edit summary
14:2014:20, 11 May 2018 diff hist 0 N File:MCBorazine18 3.PNG No edit summary current
14:2014:20, 11 May 2018 diff hist 0 N File:MCBenzene19 3.PNG No edit summary current
14:1514:15, 11 May 2018 diff hist +625 CompChem2:mc4716 No edit summary
14:1414:14, 11 May 2018 diff hist 0 N File:MCBorazine15 2.png No edit summary current
14:1214:12, 11 May 2018 diff hist 0 N File:Benzene14 2.png No edit summary current
14:1114:11, 11 May 2018 diff hist 0 N File:Benzene12 1.png No edit summary current
14:1114:11, 11 May 2018 diff hist 0 N File:Borazine10 1.png No edit summary current
14:0614:06, 11 May 2018 diff hist 0 N File:MC Tut MO diagram BH3.pdf No edit summary current
13:3613:36, 11 May 2018 diff hist +2,310 CompChem2:mc4716 No edit summary
13:1213:12, 11 May 2018 diff hist 0 N File:Benzene summery.png No edit summary current
13:1213:12, 11 May 2018 diff hist 0 N File:Borazine summery.png No edit summary current
13:0413:04, 11 May 2018 diff hist 0 N File:MC BORAZINE FEQ.LOG No edit summary current
13:0213:02, 11 May 2018 diff hist 0 N File:MC BENZENE FREQ.LOG No edit summary current
13:0113:01, 11 May 2018 diff hist 0 N File:MC benzene freq.gjf No edit summary current
12:3212:32, 11 May 2018 diff hist 0 N File:Charge color comparison.png No edit summary current
12:3112:31, 11 May 2018 diff hist 0 N File:Charge number comparison.png No edit summary current

16:1716:17, 10 May 2018 diff hist +14 CompChem2:mc4716 No edit summary

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