User contributions for Ak8916

8 May 2018

• 14:4614:46, 8 May 2018 diff hist +2 Ak8916 No edit summary
• 14:4514:45, 8 May 2018 diff hist 0 N File:Dynamic trajectory 1.png No edit summary current
• 14:4514:45, 8 May 2018 diff hist +60 Ak8916 No edit summary
• 14:4414:44, 8 May 2018 diff hist 0 File:Dynamic trajectory.png Ak8916 uploaded a new version of File:Dynamic trajectory.png current
• 14:4414:44, 8 May 2018 diff hist 0 File:Dynamic trajectory.png Ak8916 uploaded a new version of File:Dynamic trajectory.png
• 14:4314:43, 8 May 2018 diff hist +498 Ak8916 No edit summary
• 14:3914:39, 8 May 2018 diff hist +30 Ak8916 No edit summary Tag: Visual edit: Switched
• 14:3614:36, 8 May 2018 diff hist 0 File:Transition state.png Ak8916 uploaded a new version of File:Transition state.png
• 14:3614:36, 8 May 2018 diff hist +65 Ak8916 No edit summary Tag: Visual edit
• 12:2912:29, 8 May 2018 diff hist +556 Ak8916 No edit summary Tag: Visual edit
• 12:1712:17, 8 May 2018 diff hist +289 N Ak8916 Created page with "EXERCISE 1: H + H2 system What value do the different components of the gradient of the potential energy surface have at a minimum and at a transition structure? Briefly expl..."

24 March 2017

• 11:2111:21, 24 March 2017 diff hist +31 Rep:Mod:pag1234 →Charge Distribution
• 11:2011:20, 24 March 2017 diff hist +3 Rep:Mod:pag1234 →Optimisation Results
• 11:1911:19, 24 March 2017 diff hist +1 Rep:Mod:pag1234 →Charge
• 11:1711:17, 24 March 2017 diff hist +30 Rep:Mod:pag1234 →1s Orbitals
• 11:1111:11, 24 March 2017 diff hist +9 Rep:Mod:pag1234 →2p Orbitals
• 11:0811:08, 24 March 2017 diff hist +12 Rep:Mod:pag1234 →2s Orbitals
• 11:0611:06, 24 March 2017 diff hist −1 Rep:Mod:pag1234 →N2 molecule
• 10:5510:55, 24 March 2017 diff hist −6 Rep:Mod:pag1234 →N2 molecule
• 10:5410:54, 24 March 2017 diff hist +21 Rep:Mod:pag1234 →H2 molecule
• 10:5310:53, 24 March 2017 diff hist +1 Rep:Mod:pag1234 →Molecule of Choice: CN-
• 10:5210:52, 24 March 2017 diff hist −8 Rep:Mod:pag1234 →Molecule of Choice: CN-
• 10:5010:50, 24 March 2017 diff hist −4 Rep:Mod:pag1234 →Literature Value Comparison
• 10:4510:45, 24 March 2017 diff hist +49 Rep:Mod:pag1234 →1s Orbitals
• 10:4410:44, 24 March 2017 diff hist +13 Rep:Mod:pag1234 →1s Orbitals
• 10:4210:42, 24 March 2017 diff hist −2 Rep:Mod:pag1234 →References
• 10:4110:41, 24 March 2017 diff hist +73 Rep:Mod:pag1234 →Molecule of Choice: CN-
• 10:3810:38, 24 March 2017 diff hist +106 Rep:Mod:pag1234 →Reaction Energies
• 10:3810:38, 24 March 2017 diff hist +217 Rep:Mod:pag1234 →Literature Value Comparison
• 10:3410:34, 24 March 2017 diff hist +17 Rep:Mod:pag1234 →3s Orbital
• 10:3310:33, 24 March 2017 diff hist +194 Rep:Mod:pag1234 →3s Orbital
• 10:3310:33, 24 March 2017 diff hist −192 Rep:Mod:pag1234 →Literature Value Comparison
• 10:3210:32, 24 March 2017 diff hist +12 Rep:Mod:pag1234 →Literature Value Comparison
• 10:3010:30, 24 March 2017 diff hist +228 Rep:Mod:pag1234 →Literature Value Comparison
• 10:2610:26, 24 March 2017 diff hist −1 Rep:Mod:pag1234 →Literature Value Comparison

23 March 2017

• 17:4417:44, 23 March 2017 diff hist −26 Rep:Mod:pag1234 →Molecular Orbitals
• 17:4317:43, 23 March 2017 diff hist +55 Rep:Mod:pag1234 →H2 molecule
• 17:2917:29, 23 March 2017 diff hist +63 Rep:Mod:pag1234 →NH3 molecule
• 17:2817:28, 23 March 2017 diff hist +1 Rep:Mod:pag1234 →Optimisation Results
• 17:2717:27, 23 March 2017 diff hist +5 Rep:Mod:pag1234 →N2 molecule
• 15:5515:55, 23 March 2017 diff hist +50 Rep:Mod:pag1234 →N2 molecule
• 15:5415:54, 23 March 2017 diff hist +5 Rep:Mod:pag1234 →Frequency Analysis
• 15:5415:54, 23 March 2017 diff hist +24 Rep:Mod:pag1234 →Optimisation Results
• 15:5315:53, 23 March 2017 diff hist +27 Rep:Mod:pag1234 →NH3 molecule
• 12:3412:34, 23 March 2017 diff hist +134 Rep:Mod:pag1234 →Literature Value Comparison
• 12:2512:25, 23 March 2017 diff hist −28 Rep:Mod:pag1234 →Coordinate axis used
• 12:2412:24, 23 March 2017 diff hist +2 Rep:Mod:pag1234 →1s Orbitals
• 12:2312:23, 23 March 2017 diff hist +30 Rep:Mod:pag1234 →Molecule of Choice: CN-
• 12:2312:23, 23 March 2017 diff hist +30 Rep:Mod:pag1234 →H2 molecule
• 12:2212:22, 23 March 2017 diff hist +30 Rep:Mod:pag1234 →N2 molecule