User contributions for Lt912
12 June 2017
- 11:1411:14, 12 June 2017 diff hist +200 MRD:sb6014 Y2MRD →EXERCISE 1: H + H2 system current
- 11:0511:05, 12 June 2017 diff hist +44 MRD:Ekart →The excess energy current
- 11:0311:03, 12 June 2017 diff hist +230 MRD:Ekart →The excess energy
- 10:5610:56, 12 June 2017 diff hist +218 MRD:Ekart →Transition State Theory
- 10:5210:52, 12 June 2017 diff hist +1 MRD:Ekart →rts
- 10:5210:52, 12 June 2017 diff hist +237 MRD:Ekart →rts
- 10:5010:50, 12 June 2017 diff hist +195 MRD:Ekart →Exercise 1: H + H2 system
- 10:4310:43, 12 June 2017 diff hist +1 MRD:Jegajeg01108428 →Reactive and unreactive trajectories current
- 10:4310:43, 12 June 2017 diff hist +199 MRD:Jegajeg01108428 →Reactive and unreactive trajectories
- 10:4010:40, 12 June 2017 diff hist −2 MRD:Jegajeg01108428 →Reaction dynamics
- 10:3910:39, 12 June 2017 diff hist +315 MRD:Jegajeg01108428 No edit summary
9 June 2017
- 07:3007:30, 9 June 2017 diff hist +141 Em1815 Yr2 M R D →Question 5.State what are the main assumptions of Transition State Theory. Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values? current
- 07:2807:28, 9 June 2017 diff hist +169 Em1815 Yr2 M R D /* Question 1. What value does the total 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 energy sur...
- 07:2607:26, 9 June 2017 diff hist +142 MRD:zx2015y2MRD →Conclusion current
- 07:2407:24, 9 June 2017 diff hist +118 MRD:zx2015y2MRD →Assumption on Transition State Theory
- 07:2307:23, 9 June 2017 diff hist +190 MRD:zx2015y2MRD →Internuclear Distances vs Time ( r1= rTS+δ, r2 = rTS)
- 07:2207:22, 9 June 2017 diff hist +190 MRD:zx2015y2MRD →Gradient of the PES
- 07:2007:20, 9 June 2017 diff hist +124 AS61151 →Mechanism of release of the reaction energy current
- 07:1907:19, 9 June 2017 diff hist +156 AS61151 →Transition State Theory
- 07:1707:17, 9 June 2017 diff hist +143 MRD:rwz15 →Question 5 current
- 07:1307:13, 9 June 2017 diff hist +106 MRD:rwz15 →Question 9
- 07:0707:07, 9 June 2017 diff hist +165 MRD:dr1415 →Reaction Dynamics current
- 07:0507:05, 9 June 2017 diff hist −68 MRD:dr1415 →Identifying Minima and Transition States
- 07:0407:04, 9 June 2017 diff hist +138 MRD:dr1415 →Transition State Theory
- 06:5906:59, 9 June 2017 diff hist +236 MRD:dr1415 →Identifying Minima and Transition States
4 June 2017
- 17:1317:13, 4 June 2017 diff hist +82 DL3715 Y2 →1.1 What value does the total 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 energy surface. current
- 17:1117:11, 4 June 2017 diff hist −1 DL3715 Y2 →2.4 In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally?
- 17:1117:11, 4 June 2017 diff hist +4 DL3715 Y2 →2.4 In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally?
- 17:1017:10, 4 June 2017 diff hist 0 DL3715 Y2 →2.4 In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally?
- 17:1017:10, 4 June 2017 diff hist −32 DL3715 Y2 →2.4 In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally?
- 17:1017:10, 4 June 2017 diff hist +126 DL3715 Y2 →2.4 In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally?
- 17:0917:09, 4 June 2017 diff hist −19 DL3715 Y2 →2.4 In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally?
- 17:0917:09, 4 June 2017 diff hist +22 DL3715 Y2 →2.4 In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally?
- 17:0817:08, 4 June 2017 diff hist −34 DL3715 Y2 →2.4 In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally?
- 17:0717:07, 4 June 2017 diff hist +128 DL3715 Y2 →2.4 In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally?
- 17:0717:07, 4 June 2017 diff hist −94 DL3715 Y2 →2.4 In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally?
- 17:0617:06, 4 June 2017 diff hist −297 DL3715 Y2 →2.4 In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally?
- 17:0517:05, 4 June 2017 diff hist +207 DL3715 Y2 →2.4 In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally?
- 17:0417:04, 4 June 2017 diff hist −3 DL3715 Y2 →2.4 In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally?
- 17:0417:04, 4 June 2017 diff hist +4 DL3715 Y2 →2.4 In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally?
- 17:0317:03, 4 June 2017 diff hist 0 DL3715 Y2 →2.4 In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally?
- 17:0117:01, 4 June 2017 diff hist +683 DL3715 Y2 →2.4 In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally?
- 16:4216:42, 4 June 2017 diff hist +246 DL3715 Y2 →1.5 State what are the main assumptions of Transition State Theory. Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?
2 June 2017
- 03:0803:08, 2 June 2017 diff hist +157 DL3715 Y2 →1.1 What value does the total 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 energy surface.
- 03:0103:01, 2 June 2017 diff hist +265 Eo00842229 →Question 9 - Reaction Dynamics - Reaction Energy current
- 02:5802:58, 2 June 2017 diff hist +255 Eo00842229 →Question 5 - Transition State Theory
- 02:5302:53, 2 June 2017 diff hist +139 MRD:10969OOR →mechanism of release of the reaction energy current
- 02:3802:38, 2 June 2017 diff hist +209 Ct1515MRD →Exercise 1: H + H2 current
- 02:3402:34, 2 June 2017 diff hist +287 MRD:JDN15 →Reaction Dynamics current
- 02:3002:30, 2 June 2017 diff hist +140 MRD:JDN15 →Reaction Dynamics