User contributions
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- 03:28, 2 June 2017 (diff | hist) . . (+201) . . MRD:JDN15 (→Reaction Dynamics)
- 03:26, 2 June 2017 (diff | hist) . . (+218) . . MRD:JDN15 (→Assumptions of Transition State Theory)
- 03:23, 2 June 2017 (diff | hist) . . (+11) . . MRD:JDN15 (→EXERCISE 1: H + H2 system)
- 03:22, 2 June 2017 (diff | hist) . . (+181) . . MRD:JDN15 (→Value of gradient at minimum and at transition state.)
- 03:43, 26 May 2017 (diff | hist) . . (+146) . . MRD:aw2415 (→Polanyi's Rules) (current)
- 02:24, 26 May 2017 (diff | hist) . . (+159) . . MRD:wcc14gee (→Main assumptions of Transition State Theory) (current)
- 02:22, 26 May 2017 (diff | hist) . . (+195) . . MRD:wcc14gee (→Main assumptions of Transition State Theory)
- 02:14, 26 May 2017 (diff | hist) . . (+783) . . MRD:lu01083057 (→Reaction Efficiency: The Application of Polanyi's rule)
- 01:51, 26 May 2017 (diff | hist) . . (+294) . . Yg5515 (→Conclusion) (current)
- 23:19, 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)
- 23:08, 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)
- 23:07, 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.)
- 23:07, 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.)
- 22:59, 18 May 2017 (diff | hist) . . (+179) . . MRD:sp3815 (→Discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally?)
- 22:48, 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.)
- 14:26, 9 May 2017 (diff | hist) . . (-126) . . Talk:MRD:sg3415 (current)
- 06:20, 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...")
- 04:35, 9 May 2017 (diff | hist) . . (+739) . . Talk:MRD:TTCY (current)
- 03:49, 9 May 2017 (diff | hist) . . (+48) . . Talk:MRD:TTCY
- 03:41, 9 May 2017 (diff | hist) . . (+17,044) . . N Talk:MRD:TTCY (Created page with "= Molecular Reaction Dynamics: Applications to Triatomic systems = == Exercise 1: H + H<sub>2</sub> system == === Determination of the TS geometry. === '''''What value...")
- 03:27, 16 February 2015 (diff | hist) . . (-79) . . Mod:lt912 ising (→The Effect of Temperature) (current)
- 03:26, 16 February 2015 (diff | hist) . . (0) . . N File:Lt91232x32.png (current)
- 03:25, 16 February 2015 (diff | hist) . . (0) . . N File:Lt91216x16.png (current)
- 03:24, 16 February 2015 (diff | hist) . . (0) . . N File:Lt9128x8.png (current)
- 03:23, 16 February 2015 (diff | hist) . . (0) . . N File:Lt9124x4.png (current)
- 03:20, 16 February 2015 (diff | hist) . . (0) . . N File:Lt9122x2.png (current)
- 03:01, 16 February 2015 (diff | hist) . . (+552) . . Mod:lt912 ising (→The Effect of Temperature)
- 00:40, 16 February 2015 (diff | hist) . . (+106) . . Mod:lt912 ising (→Finding the Peak in C)
- 00:34, 16 February 2015 (diff | hist) . . (+83) . . Mod:lt912 ising (→Calculating the Heat Capacity)
- 00:31, 16 February 2015 (diff | hist) . . (+91) . . Mod:lt912 ising (→The Effect of System Size)
- 00:25, 16 February 2015 (diff | hist) . . (+424) . . Mod:lt912 ising (→The Effect of System Size)
- 00:17, 16 February 2015 (diff | hist) . . (+2) . . Mod:lt912 ising (→The Effect of System Size)
- 00:15, 16 February 2015 (diff | hist) . . (+80) . . Mod:lt912 ising (→The Effect of Temperature)
- 00:05, 16 February 2015 (diff | hist) . . (-167) . . Mod:lt912 ising (→Correct the Average Code)
- 23:50, 15 February 2015 (diff | hist) . . (+26) . . Mod:lt912 ising (→Correct the Average Code)
- 23:44, 15 February 2015 (diff | hist) . . (0) . . Mod:lt912 ising (→Correct the Average Code)
- 23:42, 15 February 2015 (diff | hist) . . (+74) . . Mod:lt912 ising (→Correct the Average Code)
- 23:34, 15 February 2015 (diff | hist) . . (+14) . . Mod:lt912 ising (→Correct the Average Code)
- 23:18, 15 February 2015 (diff | hist) . . (-16) . . Mod:lt912 ising (→Correct the Average Code)
- 23:16, 15 February 2015 (diff | hist) . . (+52) . . Mod:lt912 ising (→Correct the Average Code)
- 23:10, 15 February 2015 (diff | hist) . . (+3) . . Mod:lt912 ising (→Correct the Average Code)
- 23:09, 15 February 2015 (diff | hist) . . (+6) . . Mod:lt912 ising (→Correct the Average Code)
- 23:07, 15 February 2015 (diff | hist) . . (-14) . . Mod:lt912 ising (→Correct the Average Code)
- 23:07, 15 February 2015 (diff | hist) . . (-6) . . Mod:lt912 ising (→Correct the Average Code)
- 23:05, 15 February 2015 (diff | hist) . . (+74) . . Mod:lt912 ising (→Correct the Average Code)
- 22:57, 15 February 2015 (diff | hist) . . (-1) . . Mod:lt912 ising (→Accelerating the Code)
- 22:55, 15 February 2015 (diff | hist) . . (+97) . . Mod:lt912 ising (→Accelerating the Code)
- 22:51, 15 February 2015 (diff | hist) . . (+1) . . Mod:lt912 ising (→Accelerating the Code)
- 22:48, 15 February 2015 (diff | hist) . . (-29) . . Mod:lt912 ising (→Accelerating the Code)
- 22:47, 15 February 2015 (diff | hist) . . (+13) . . Mod:lt912 ising (→Accelerating the Code)
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