User contributions for Az916

1 May 2018

• 17:2717:27, 1 May 2018 diff hist −101 MRD:az916 →Molecular Reaction Dynamics
• 17:2617:26, 1 May 2018 diff hist +104 MRD:az916 /* 1. What value do the different components of the 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...
• 17:2317:23, 1 May 2018 diff hist 0 N File:Fig3az916.png No edit summary current
• 17:2217:22, 1 May 2018 diff hist +93 MRD:az916 →Molecular Reaction Dynamics
• 17:0017:00, 1 May 2018 diff hist +55 MRD:az916 →Molecular Reaction Dynamics
• 16:4116:41, 1 May 2018 diff hist +2 MRD:az916 →Molecular Reaction Dynamics
• 16:4016:40, 1 May 2018 diff hist 0 N File:Contour plot 1 az916.png No edit summary current
• 16:4016:40, 1 May 2018 diff hist +105 MRD:az916 →Molecular Reaction Dynamics
• 16:2116:21, 1 May 2018 diff hist +51 MRD:az916 →Molecular Reaction Dynamics
• 16:1916:19, 1 May 2018 diff hist +22 MRD:az916 →Molecular Reaction Dynamics
• 16:1716:17, 1 May 2018 diff hist +127 MRD:az916 →2. Trajectories from r1 = r2: locating the transition state
• 16:1616:16, 1 May 2018 diff hist +3 MRD:az916 /* 1. What value do the different components of the 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...
• 16:1516:15, 1 May 2018 diff hist +220 MRD:az916 →Molecular Reaction Dynamics
• 12:5612:56, 1 May 2018 diff hist +73 MRD:az916 →Molecular Reaction Dynamics
• 11:5011:50, 1 May 2018 diff hist +553 MRD:az916 No edit summary Tag: Visual edit: Switched
• 11:0111:01, 1 May 2018 diff hist 0 N File:Surface Plot1 az196.png No edit summary current
• 10:4510:45, 1 May 2018 diff hist +7 MRD:az916 No edit summary
• 10:4410:44, 1 May 2018 diff hist +87 N MRD:az916 Created page with "==<u>Molecular Reaction Dynamics</u>== ===Dynamics from the Transition State Region==="

24 March 2017

• 14:3314:33, 24 March 2017 diff hist 0 Rep:Mod:135197471 →N2
• 14:3114:31, 24 March 2017 diff hist +1 Rep:Mod:135197471 →F2
• 14:3114:31, 24 March 2017 diff hist +1 Rep:Mod:135197471 →N2
• 14:3114:31, 24 March 2017 diff hist +1 Rep:Mod:135197471 →H2
• 14:3114:31, 24 March 2017 diff hist +1 Rep:Mod:135197471 →NH3
• 14:3014:30, 24 March 2017 diff hist −1 Rep:Mod:135197471 →Orbitals
• 14:2914:29, 24 March 2017 diff hist −28 Rep:Mod:135197471 →Key Information
• 14:2814:28, 24 March 2017 diff hist +28 Rep:Mod:135197471 →NH3
• 14:2714:27, 24 March 2017 diff hist −12 Rep:Mod:135197471 →key info
• 14:2614:26, 24 March 2017 diff hist +13 Rep:Mod:135197471 →NH3
• 14:2614:26, 24 March 2017 diff hist +179 Rep:Mod:135197471 →Orbitals
• 14:2114:21, 24 March 2017 diff hist +27 Rep:Mod:135197471 →Haber Process Enthalpy Change
• 14:1814:18, 24 March 2017 diff hist −1 Rep:Mod:135197471 →N2
• 14:1814:18, 24 March 2017 diff hist −1 Rep:Mod:135197471 →H2
• 14:1714:17, 24 March 2017 diff hist +34 Rep:Mod:135197471 →NH3
• 14:1514:15, 24 March 2017 diff hist +2,136 Rep:Mod:135197471 →F2
• 13:4213:42, 24 March 2017 diff hist 0 N File:Az916 F2 orbitals.PNG No edit summary current
• 13:2413:24, 24 March 2017 diff hist 0 N File:Az916 F2 2sstar..PNG No edit summary current
• 13:2413:24, 24 March 2017 diff hist 0 N File:Az916 F2 2s.PNG No edit summary current
• 13:2413:24, 24 March 2017 diff hist 0 N File:Az916 F2 2pz.PNG No edit summary current
• 13:2313:23, 24 March 2017 diff hist 0 N File:Az916 F2 2pystar.PNG No edit summary current
• 13:2313:23, 24 March 2017 diff hist 0 N File:Az916 F2 2py.PNG No edit summary current
• 12:5712:57, 24 March 2017 diff hist +108 Rep:Mod:135197471 →F2
• 12:5312:53, 24 March 2017 diff hist +869 Rep:Mod:135197471 →Reaction Energies
• 12:5012:50, 24 March 2017 diff hist 0 N File:Az916 F2 vibrations.PNG No edit summary current
• 12:5012:50, 24 March 2017 diff hist 0 N File:AZ916 F2 OPTF POP.LOG No edit summary current
• 12:4112:41, 24 March 2017 diff hist 0 Rep:Mod:135197471 →Haber Process Reaction Energy
• 12:2212:22, 24 March 2017 diff hist +80 Rep:Mod:135197471 →Haber Process Reaction Energy
• 11:3811:38, 24 March 2017 diff hist +5 Rep:Mod:135197471 →Haber Process Reaction Energy
• 11:3711:37, 24 March 2017 diff hist +148 Rep:Mod:135197471 →Haber Process Reaction Energy
• 11:3511:35, 24 March 2017 diff hist +223 Rep:Mod:135197471 →N2
• 11:0911:09, 24 March 2017 diff hist +23 Rep:Mod:135197471 →N2