User contributions for Saa2417

2 May 2019

• 14:4914:49, 2 May 2019 diff hist 0 N File:-2 0138.png No edit summary current
• 14:4914:49, 2 May 2019 diff hist 0 N File:-3 0138.png No edit summary current
• 14:1914:19, 2 May 2019 diff hist 0 N File:Energy v time 0138.png No edit summary current
• 13:3613:36, 2 May 2019 diff hist 0 N File:Ts contour 0138.png No edit summary current
• 13:3513:35, 2 May 2019 diff hist 0 N File:Ts distance 0138.png No edit summary current
• 13:0613:06, 2 May 2019 diff hist 0 N File:Surface Plot hf and h.png No edit summary current
• 12:4812:48, 2 May 2019 diff hist 0 N File:Surface Plot f and h2-0138.png No edit summary current

30 April 2019

• 16:5916:59, 30 April 2019 diff hist +3,694 MRD:01381641 →Molecular Reaction Dynamics
• 16:3116:31, 30 April 2019 diff hist 0 N File:Fig8-0138.png No edit summary current
• 16:3116:31, 30 April 2019 diff hist 0 N File:Fig7-0138.png No edit summary current
• 16:3116:31, 30 April 2019 diff hist 0 N File:Fig6-0138.png No edit summary current
• 16:3016:30, 30 April 2019 diff hist 0 N File:Fig5.png No edit summary current
• 16:3016:30, 30 April 2019 diff hist 0 N File:Fig4.png No edit summary current
• 15:5415:54, 30 April 2019 diff hist 0 N File:Reverse1-0138.png No edit summary current
• 15:5315:53, 30 April 2019 diff hist 0 N File:Reverse2-0138.png No edit summary current
• 15:1615:16, 30 April 2019 diff hist +1 MRD:01381641 →Calculating reaction paths
• 15:1615:16, 30 April 2019 diff hist +276 MRD:01381641 →EXERCISE 1: H + H2 system
• 15:1315:13, 30 April 2019 diff hist 0 N File:Dynamic0138.png No edit summary current
• 15:1315:13, 30 April 2019 diff hist 0 N File:MEP0138.png No edit summary current
• 14:3714:37, 30 April 2019 diff hist +298 MRD:01381641 →EXERCISE 1: H + H2 system
• 14:3614:36, 30 April 2019 diff hist 0 File:Contour TS Location.png Saa2417 uploaded a new version of File:Contour TS Location.png current
• 14:3114:31, 30 April 2019 diff hist 0 N File:Locating TS Internuclear vs Time.png No edit summary current
• 14:3114:31, 30 April 2019 diff hist 0 N File:Contour TS Location.png No edit summary
• 14:3114:31, 30 April 2019 diff hist +914 MRD:01381641 →EXERCISE 1: H + H2 system
• 13:2513:25, 30 April 2019 diff hist 0 N File:Surface Plot0138.png No edit summary current
• 13:0213:02, 30 April 2019 diff hist +39 MRD:01381641 No edit summary
• 12:5812:58, 30 April 2019 diff hist +658 N MRD:01381641 Created page with "='''Molecular Reaction Dynamics'''= ==EXERCISE 1: H + H₂ system== '''''On a potential energy surface diagram, how is the transition state mathematically defined?..."

23 February 2018

• 14:4014:40, 23 February 2018 diff hist −31 Rep:Mod:01381641 →Molecular Orbitals
• 14:3814:38, 23 February 2018 diff hist +86 Rep:Mod:01381641 →Optimisation Output
• 14:3514:35, 23 February 2018 diff hist −27 Rep:Mod:01381641 →Summary for N2 Molecule
• 14:3514:35, 23 February 2018 diff hist −1 Rep:Mod:01381641 →Molecular Orbitals:
• 14:3514:35, 23 February 2018 diff hist +37 Rep:Mod:01381641 →Molecular Orbitals:
• 14:3314:33, 23 February 2018 diff hist −1 Rep:Mod:01381641 →Ensuring optimisation completed correctly:
• 14:3314:33, 23 February 2018 diff hist −1 Rep:Mod:01381641 →Summary:
• 14:3114:31, 23 February 2018 diff hist −1 Rep:Mod:01381641 →Optimisation Output:
• 14:3114:31, 23 February 2018 diff hist −1 Rep:Mod:01381641 →Summary for N2 Molecule:
• 14:3114:31, 23 February 2018 diff hist −95 Rep:Mod:01381641 →Analysis
• 14:2314:23, 23 February 2018 diff hist −1 Rep:Mod:01381641 →Analysis:
• 14:2314:23, 23 February 2018 diff hist −2 Rep:Mod:01381641 →Ensuring optimisation has completed correctly:
• 14:2314:23, 23 February 2018 diff hist −2 Rep:Mod:01381641 →Optimisation Output
• 11:5511:55, 23 February 2018 diff hist +31 Rep:Mod:01381641 →Molecular Orbitals:
• 11:5311:53, 23 February 2018 diff hist +344 Rep:Mod:01381641 →Optimisation of an NH3 Molecule
• 11:4311:43, 23 February 2018 diff hist 0 Rep:Mod:01381641 →Evaluating The Haber-Bosch Process
• 11:4111:41, 23 February 2018 diff hist +1 Rep:Mod:01381641 →Optimisation of an NH3 Molecule
• 11:4011:40, 23 February 2018 diff hist 0 Rep:Mod:01381641 →Optimisation Output:
• 11:4011:40, 23 February 2018 diff hist −2 Rep:Mod:01381641 →Summary:
• 11:4011:40, 23 February 2018 diff hist +217 Rep:Mod:01381641 →Optimisation Output:
• 11:3411:34, 23 February 2018 diff hist +34 Rep:Mod:01381641 →Optimisation Output:
• 11:2711:27, 23 February 2018 diff hist +3 Rep:Mod:01381641 →Optimisation Output
• 11:2611:26, 23 February 2018 diff hist +3 Rep:Mod:01381641 →Optimisation Output: