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User contributions for Nf710

Results for Nf710 talk block log uploads logs

A user with 1,729 edits. Account created on 19 February 2013.

11:0311:03, 26 May 2017 diff hist +214 Rep:Mod:XZ9215 second →Reaction dynamics
11:0211:02, 26 May 2017 diff hist +195 Rep:Mod:XZ9215 second →Transition State Region
10:4210:42, 26 May 2017 diff hist +74 MRD:TW2115PhysComp No edit summary current
10:4210:42, 26 May 2017 diff hist +123 MRD:TW2115PhysComp →Effect of transition state location
10:1210:12, 26 May 2017 diff hist +268 MRD:TW2115PhysComp →Minimum Energy Path vs Dynamic Paths
09:5909:59, 26 May 2017 diff hist +140 MRD:sj2814 →References current
09:5809:58, 26 May 2017 diff hist +387 MRD:sj2814 →In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally?
09:4809:48, 26 May 2017 diff hist +253 MRD:sj2814 →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.
09:4309:43, 26 May 2017 diff hist +252 MRD:ad5215 →References current
09:3109:31, 26 May 2017 diff hist +113 MRD:ad5215 →Exercise 1
09:2609:26, 26 May 2017 diff hist +301 MRD:kkl115 →References current
09:1409:14, 26 May 2017 diff hist +130 MRD:kkl115 →Reactive and Unreactive Trajectories

10:2510:25, 15 May 2017 diff hist +439 N Talk:MRD:jx3515 Created page with "HH Good explanation of a TS, slightly confused. To summarise A TS has positive second derivatives in all coordinates apart from one which is negative, the reaction coordinate..." current
10:0010:00, 15 May 2017 diff hist +251 N Talk:MRD:everything01095534 Created page with "HH System When talking about the success of a reaction you should talk in terms of crossing the TS not is r1=r2 Good understanding of the varous reactive or unreactive traj..." current
09:4509:45, 15 May 2017 diff hist +529 N Talk:MRD:jkt115 Created page with "HH system Q1 You need to explain this question with second derivatives. Q3 What did you notice at the start of of every step in the mep wrt dynamics calculation? Q5 Example..." current
08:5508:55, 15 May 2017 diff hist +513 Talk:MRD:tyy15bryanyick No edit summary current
08:3208:32, 15 May 2017 diff hist +68 Talk:MRD:bss15 No edit summary current
08:2008:20, 15 May 2017 diff hist +83 N Talk:MRD:tyy15bryanyick Created page with "HH system stationary in r1 and r2. but it is a maximum in the reaction cororindate."

11:4511:45, 12 May 2017 diff hist +635 N Talk:MRD:bss15 Created page with "HH System -'The 2nd derivative of the minima would be greater than 0 as the minima would be the lowest value on the 'valley' of a graph.' in all coordinates The TS would be a..."
11:0311:03, 12 May 2017 diff hist +359 N Talk:MRD:ST3515PL Created page with "H +H System - 'This trajectory forms products as there is the correct combination of vibrational and translational motion for the system to overcome the activation barrier.' T..." current

17:2217:22, 11 May 2017 diff hist +964 Talk:Jessicali No edit summary current
17:2117:21, 11 May 2017 diff hist −964 Talk:Jessicali Blanked the page
17:2017:20, 11 May 2017 diff hist +964 N Talk:Jessicali Created page with "H - H System -'Therefore, the total gradient is 0.' This sentence makes no sense. They are both extrema that is all. -' 0. Whereas when viewing the graph in the surface of PE..."

21:3121:31, 16 April 2017 diff hist +290 Rep:Mod:MaxBridge →Exercise 3: Diels-Alder vs Cheletropic
20:3820:38, 16 April 2017 diff hist +243 Rep:Mod:MaxBridge →Exercise 1: Reaction of Butadiene with Ethylene
20:2920:29, 16 April 2017 diff hist +193 Rep:Title=Mod:SSH214ts →Exercise 3:
20:1420:14, 16 April 2017 diff hist +140 Rep:Title=Mod:SSH214ts →Exercise 1:
20:0720:07, 16 April 2017 diff hist +285 Rep:Title=Mod:SSH214ts →Introduction
19:4419:44, 16 April 2017 diff hist +251 Rep:MOD:tyl214 →Exercise 3: O-Xylylene-SO2 Cycloaddition
19:2819:28, 16 April 2017 diff hist +367 Rep:MOD:tyl214 →Exercise 1: [4 + 2] Cycloaddition of butadiene and ethene
13:0813:08, 16 April 2017 diff hist +165 Rep:Mod:ts VHO →Exercise 3: Diels-Alder vs Cheletropic
13:0013:00, 16 April 2017 diff hist +296 Rep:Mod:ts VHO →Exercise 1: Reaction of Butadiene with Ethene
12:5412:54, 16 April 2017 diff hist +271 Rep:Yc9014-transition →Exercise 3:Diels-Alder vs Cheletropic

11:1911:19, 7 April 2017 diff hist +233 Rep:Mod:hb1013 →Exercise 3: Diels-Alder vs Cheletropic
11:1611:16, 7 April 2017 diff hist +231 Rep:Mod:hb1013 →Exercise 1: Reaction of Butadiene with Ethylene
11:0311:03, 7 April 2017 diff hist +333 Rep:Mod:KMF14TS →Diels Alder vs Chelotropic Reactions
10:5410:54, 7 April 2017 diff hist +228 Rep:Mod:KMF14TS →Reaction of Butadiene and ethylene
09:4909:49, 7 April 2017 diff hist +137 Rep:Mod:TP1414 →Exercise 3: Diels-Alder vs Cheletropic
09:3609:36, 7 April 2017 diff hist +192 Rep:Mod:TP1414 →Exercise 1: Reaction of Butadiene with Ethylene
09:3209:32, 7 April 2017 diff hist +111 Rep:Mod:lb3714TS →Exercise 1: Reaction of Butadiene with Ethylene
09:3009:30, 7 April 2017 diff hist +173 Rep:Mod:lb3714TS →Exercise 3: Diels-Alder vs Chelotropic
09:1709:17, 7 April 2017 diff hist +315 Rep:Mod:lb3714TS →Potential Energy Surfaces
08:5908:59, 7 April 2017 diff hist +339 Rep:Mod:tsns2214 →Exercise 3: O-Xylylene-SO2 Cycloaddition
08:4108:41, 7 April 2017 diff hist +250 Rep:Mod:tsns2214 →Introduction

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