User contributions for Lt912

2 June 2017

• 02:2802:28, 2 June 2017 diff hist +201 MRD:JDN15 →Reaction Dynamics
• 02:2602:26, 2 June 2017 diff hist +218 MRD:JDN15 →Assumptions of Transition State Theory
• 02:2302:23, 2 June 2017 diff hist +11 MRD:JDN15 →EXERCISE 1: H + H2 system
• 02:2202:22, 2 June 2017 diff hist +181 MRD:JDN15 →Value of gradient at minimum and at transition state.

26 May 2017

• 02:4302:43, 26 May 2017 diff hist +146 MRD:aw2415 →Polanyi's Rules current
• 01:2401:24, 26 May 2017 diff hist +159 MRD:wcc14gee →Main assumptions of Transition State Theory current
• 01:2201:22, 26 May 2017 diff hist +195 MRD:wcc14gee →Main assumptions of Transition State Theory
• 01:1401:14, 26 May 2017 diff hist +783 MRD:lu01083057 →Reaction Efficiency: The Application of Polanyi's rule
• 00:5100:51, 26 May 2017 diff hist +294 Yg5515 →Conclusion current

18 May 2017

• 22:1922:19, 18 May 2017 diff hist +122 MRD:jht114 /* The cases studied are an illustration of Polanyi's empirical rules. 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 t... current
• 22:0822:08, 18 May 2017 diff hist +92 MRD:sp3815 →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. current
• 22:0722:07, 18 May 2017 diff hist +1 MRD:sp3815 →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.
• 22:0722:07, 18 May 2017 diff hist +622 MRD:sp3815 →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.
• 21:5921:59, 18 May 2017 diff hist +179 MRD:sp3815 →Discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally?
• 21:4821:48, 18 May 2017 diff hist +252 MRD:sp3815 →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.

9 May 2017

• 13:2613:26, 9 May 2017 diff hist −126 Talk:MRD:sg3415 No edit summary current
• 05:2005:20, 9 May 2017 diff hist +15,070 N Talk:MRD:sg3415 Created page with "==Molecular Reaction Dynamics== ===Question 1: What value does the total gradient of the potential energy surface have at a minimum and at a transition structure? Briefly exp..."
• 03:3503:35, 9 May 2017 diff hist +739 Talk:MRD:TTCY No edit summary current
• 02:4902:49, 9 May 2017 diff hist +48 Talk:MRD:TTCY No edit summary
• 02:4102:41, 9 May 2017 diff hist +17,044 N Talk:MRD:TTCY Created page with "= Molecular Reaction Dynamics: Applications to Triatomic systems = == Exercise 1: H + H₂ system == === Determination of the TS geometry. === '''''What value..."

16 February 2015

• 02:2702:27, 16 February 2015 diff hist −79 Rep:Mod:lt912 ising →The Effect of Temperature
• 02:2602:26, 16 February 2015 diff hist 0 N File:Lt91232x32.png No edit summary current
• 02:2502:25, 16 February 2015 diff hist 0 N File:Lt91216x16.png No edit summary current
• 02:2402:24, 16 February 2015 diff hist 0 N File:Lt9128x8.png No edit summary current
• 02:2302:23, 16 February 2015 diff hist 0 N File:Lt9124x4.png No edit summary current
• 02:2002:20, 16 February 2015 diff hist 0 N File:Lt9122x2.png No edit summary current
• 02:0102:01, 16 February 2015 diff hist +552 Rep:Mod:lt912 ising →The Effect of Temperature

15 February 2015

• 23:4023:40, 15 February 2015 diff hist +106 Rep:Mod:lt912 ising →Finding the Peak in C
• 23:3423:34, 15 February 2015 diff hist +83 Rep:Mod:lt912 ising →Calculating the Heat Capacity
• 23:3123:31, 15 February 2015 diff hist +91 Rep:Mod:lt912 ising →The Effect of System Size
• 23:2523:25, 15 February 2015 diff hist +424 Rep:Mod:lt912 ising →The Effect of System Size
• 23:1723:17, 15 February 2015 diff hist +2 Rep:Mod:lt912 ising →The Effect of System Size
• 23:1523:15, 15 February 2015 diff hist +80 Rep:Mod:lt912 ising →The Effect of Temperature
• 23:0523:05, 15 February 2015 diff hist −167 Rep:Mod:lt912 ising →Correct the Average Code
• 22:5022:50, 15 February 2015 diff hist +26 Rep:Mod:lt912 ising →Correct the Average Code
• 22:4422:44, 15 February 2015 diff hist 0 Rep:Mod:lt912 ising →Correct the Average Code
• 22:4222:42, 15 February 2015 diff hist +74 Rep:Mod:lt912 ising →Correct the Average Code
• 22:3422:34, 15 February 2015 diff hist +14 Rep:Mod:lt912 ising →Correct the Average Code
• 22:1822:18, 15 February 2015 diff hist −16 Rep:Mod:lt912 ising →Correct the Average Code
• 22:1622:16, 15 February 2015 diff hist +52 Rep:Mod:lt912 ising →Correct the Average Code
• 22:1022:10, 15 February 2015 diff hist +3 Rep:Mod:lt912 ising →Correct the Average Code
• 22:0922:09, 15 February 2015 diff hist +6 Rep:Mod:lt912 ising →Correct the Average Code
• 22:0722:07, 15 February 2015 diff hist −14 Rep:Mod:lt912 ising →Correct the Average Code
• 22:0722:07, 15 February 2015 diff hist −6 Rep:Mod:lt912 ising →Correct the Average Code
• 22:0522:05, 15 February 2015 diff hist +74 Rep:Mod:lt912 ising →Correct the Average Code
• 21:5721:57, 15 February 2015 diff hist −1 Rep:Mod:lt912 ising →Accelerating the Code
• 21:5521:55, 15 February 2015 diff hist +97 Rep:Mod:lt912 ising →Accelerating the Code
• 21:5121:51, 15 February 2015 diff hist +1 Rep:Mod:lt912 ising →Accelerating the Code
• 21:4821:48, 15 February 2015 diff hist −29 Rep:Mod:lt912 ising →Accelerating the Code
• 21:4721:47, 15 February 2015 diff hist +13 Rep:Mod:lt912 ising →Accelerating the Code