User contributions for Sw2711

24 May 2019

• 16:1216:12, 24 May 2019 diff hist +263 MRD:01364124 →Calculating the Reaction Path
• 16:1116:11, 24 May 2019 diff hist +220 MRD:01364124 →Trajectories from r1 = r2
• 16:0816:08, 24 May 2019 diff hist +131 MRD:01364124 →Dynamics From the Transition State Region
• 16:0416:04, 24 May 2019 diff hist +338 MRD:FEG17 →Reaction Dynamics current
• 16:0216:02, 24 May 2019 diff hist +236 MRD:FEG17 →Activation Energy
• 16:0016:00, 24 May 2019 diff hist +129 MRD:FEG17 →Transition State
• 15:4015:40, 24 May 2019 diff hist +129 MRD:FEG17 →F-H-H system
• 15:3915:39, 24 May 2019 diff hist +272 MRD:FEG17 →Transition State Theory
• 15:3615:36, 24 May 2019 diff hist +329 MRD:FEG17 →MEP and dynamic
• 15:2615:26, 24 May 2019 diff hist +500 MRD:FEG17 →MEP and dynamic
• 15:1915:19, 24 May 2019 diff hist +129 MRD:FEG17 →MEP and dynamic
• 15:1415:14, 24 May 2019 diff hist +37 MRD:MOF17 →Transition state location current
• 15:0815:08, 24 May 2019 diff hist +166 MRD:FEG17 →Transition State
• 15:0815:08, 24 May 2019 diff hist +324 MRD:FEG17 →H-H-H system
• 15:0215:02, 24 May 2019 diff hist +128 MRD:MOF17 →Polanyi's rules and the FHH system
• 14:5814:58, 24 May 2019 diff hist +129 MRD:MOF17 →Release of reaction energy
• 14:5614:56, 24 May 2019 diff hist +160 MRD:MOF17 →Activation energies of system
• 14:5514:55, 24 May 2019 diff hist +120 MRD:MOF17 →Locating the transition state coordinates
• 14:5414:54, 24 May 2019 diff hist +115 MRD:MOF17 →Energetics of the reaction
• 14:5414:54, 24 May 2019 diff hist +304 MRD:MOF17 →Determining reactive trajectories
• 14:1714:17, 24 May 2019 diff hist +57 MRD:MOF17 →Determining reactive trajectories
• 14:1414:14, 24 May 2019 diff hist +270 MRD:MOF17 →Determining reactive trajectories
• 14:0814:08, 24 May 2019 diff hist +129 MRD:MOF17 →Trajectory calculation
• 13:4813:48, 24 May 2019 diff hist +125 MRD:MOF17 →Transition state location
• 13:4713:47, 24 May 2019 diff hist −1 MRD:MOF17 →Transition state location
• 13:4613:46, 24 May 2019 diff hist +228 MRD:MOF17 →Transition state location
• 13:4513:45, 24 May 2019 diff hist 0 N File:HHHTS.PNG No edit summary current
• 13:3613:36, 24 May 2019 diff hist +1 MRD:MOF17 →Transition state definition
• 13:3513:35, 24 May 2019 diff hist +5 MRD:MOF17 →Transition state definition
• 13:3513:35, 24 May 2019 diff hist +43 MRD:MOF17 →Transition state definition
• 13:3313:33, 24 May 2019 diff hist 0 N File:SaddleWSK.png No edit summary current
• 13:3213:32, 24 May 2019 diff hist +722 MRD:MOF17 →Transition state definition

23 May 2019

• 10:0210:02, 23 May 2019 diff hist +15 MRD:01337001taw17 →Activation Energies Required for the Reactions current
• 10:0110:01, 23 May 2019 diff hist +24 MRD:01337001taw17 →F-H-H Transition State
• 10:0110:01, 23 May 2019 diff hist +33 Talk:MRD:Joseph.H →Question: By inspecting the potential energy surfaces, classify the F + H2 and H + HF reactions according to their energetics (endothermic or exothermic). How does this relate to the bond strength of the chemical species involved? current
• 10:0010:00, 23 May 2019 diff hist +160 MRD:SamGubbins01345038 →Finding the activation energy of the reaction current
• 09:5609:56, 23 May 2019 diff hist +61 MRD:vg3217 2ndyearcomp →5.1. Potential energy surfaces current

16 May 2019

• 16:1616:16, 16 May 2019 diff hist +144 MRD:01337001taw17 →Reaction Dynamics
• 16:1416:14, 16 May 2019 diff hist +335 MRD:01337001taw17 →Reaction Dynamics
• 16:1216:12, 16 May 2019 diff hist +258 MRD:01337001taw17 →Activation Energies Required for the Reactions
• 16:1016:10, 16 May 2019 diff hist +207 MRD:01337001taw17 →F-H-H Transition State
• 16:0916:09, 16 May 2019 diff hist +117 MRD:01337001taw17 →F + H2 and H + HF Reactions
• 16:0816:08, 16 May 2019 diff hist +210 MRD:01337001taw17 →Transition State Theory
• 15:1915:19, 16 May 2019 diff hist +128 MRD:01337001taw17 →Reactive and Unreactive Trajectories
• 15:1815:18, 16 May 2019 diff hist +116 MRD:01337001taw17 →MEP vs Dynamic Method
• 15:1615:16, 16 May 2019 diff hist +182 MRD:01337001taw17 →Finding the Transition State
• 15:1515:15, 16 May 2019 diff hist +251 MRD:01337001taw17 →Excercise 1: H + H2 System
• 13:0113:01, 16 May 2019 diff hist +117 Talk:MRD:Joseph.H →Question: 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.
• 13:0013:00, 16 May 2019 diff hist +117 Talk:MRD:Joseph.H →Question: 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
• 12:5912:59, 16 May 2019 diff hist +223 Talk:MRD:Joseph.H →Activation Energy