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User contributions for Wh1413

Results for Wh1413 talk block log uploads logs

A user with 954 edits. Account created on 22 November 2015.

06:2406:24, 30 November 2015 diff hist −76 Rep:Mod:14willh →DFT --IS DFT or HF best?***Variational theorem, mean field theory, what happens during optimisation?
06:2306:23, 30 November 2015 diff hist −6 Rep:Mod:14willh →Optimisation Processes
06:1806:18, 30 November 2015 diff hist −2 Rep:Mod:14willh →Introduction
06:1206:12, 30 November 2015 diff hist +158 Rep:Mod:14willh →The Cope Rearrangement
06:0006:00, 30 November 2015 diff hist +188 Rep:Mod:14willh →Introduction
05:5105:51, 30 November 2015 diff hist 0 Rep:Mod:14willh →Gaussian
05:5105:51, 30 November 2015 diff hist +159 Rep:Mod:14willh →Gaussian
05:4705:47, 30 November 2015 diff hist −53 Rep:Mod:14willh →Introduction
05:4505:45, 30 November 2015 diff hist −38 Rep:Mod:14willh →Introduction
05:4305:43, 30 November 2015 diff hist −18 Rep:Mod:14willh →Introduction
05:4105:41, 30 November 2015 diff hist +355 Rep:Mod:14willh →Introduction
05:3505:35, 30 November 2015 diff hist +74 Rep:Mod:14willh →Introduction
05:3405:34, 30 November 2015 diff hist −1 Rep:Mod:14willh →Optimisation Processes
05:3305:33, 30 November 2015 diff hist +52 Rep:Mod:14willh →Introduction
05:3105:31, 30 November 2015 diff hist 0 Rep:Mod:14willh →Introduction
05:3105:31, 30 November 2015 diff hist −1 Rep:Mod:14willh →Introduction
05:3105:31, 30 November 2015 diff hist 0 Rep:Mod:14willh →Introduction
05:3005:30, 30 November 2015 diff hist +34 Rep:Mod:14willh →Introduction
05:2905:29, 30 November 2015 diff hist 0 N File:WhPES.png No edit summary current
05:2505:25, 30 November 2015 diff hist +35 Rep:Mod:14willh →Gaussian
05:2405:24, 30 November 2015 diff hist 0 N File:WhUpdating Schemes.png No edit summary current
05:2305:23, 30 November 2015 diff hist 0 Rep:Mod:14willh →Introduction
05:2305:23, 30 November 2015 diff hist 0 Rep:Mod:14willh →Introduction
05:2305:23, 30 November 2015 diff hist 0 Rep:Mod:14willh →Introduction
05:2205:22, 30 November 2015 diff hist +15 Rep:Mod:14willh →Introduction
05:2205:22, 30 November 2015 diff hist 0 N File:WhNR Step.png No edit summary current
05:1905:19, 30 November 2015 diff hist +18 Rep:Mod:14willh →Introduction
05:1905:19, 30 November 2015 diff hist 0 N File:WhNR Hessian.png No edit summary current
05:1805:18, 30 November 2015 diff hist 0 File:WhComparison.png Wh1413 uploaded a new version of File:WhComparison.png current
05:1505:15, 30 November 2015 diff hist +28 Rep:Mod:14willh →Introduction
05:1405:14, 30 November 2015 diff hist 0 N File:WhComparison.png No edit summary
05:1205:12, 30 November 2015 diff hist +2 Rep:Mod:14willh →Optimisation Process
05:1205:12, 30 November 2015 diff hist +357 Rep:Mod:14willh →Optimisation Process
05:0505:05, 30 November 2015 diff hist +24 Rep:Mod:14willh →Optimisation Process
05:0205:02, 30 November 2015 diff hist 0 N File:WhPES Taylor Series.png No edit summary current
05:0105:01, 30 November 2015 diff hist 0 N File:WhPES Taylor Series.tiff No edit summary current
04:5604:56, 30 November 2015 diff hist +1,004 Rep:Mod:14willh →Optimisation Process
04:4604:46, 30 November 2015 diff hist +2,866 Rep:Mod:14willh →Comparison of HF and DFT
04:2204:22, 30 November 2015 diff hist −2 Rep:Mod:14willh →Optimisation of the Gauche3 Conformer

23:0423:04, 29 November 2015 diff hist −320 Rep:Mod:14willh →Hartree-Fock Method
22:2522:25, 29 November 2015 diff hist +460 Rep:Mod:14willh →Optimisation of the Gauche3 Conformer
22:2022:20, 29 November 2015 diff hist +467 Rep:Mod:14willh →DFT --IS DFT or HF best?***Variational theorem, mean field theory, what happens during optimisation?
21:4921:49, 29 November 2015 diff hist +767 Rep:Mod:14willh →Optimising the Reactants and Products
21:2921:29, 29 November 2015 diff hist +173 Rep:Mod:14willh →Reaction Activation Energies
21:2321:23, 29 November 2015 diff hist −16 Rep:Mod:14willh →Zero-Point Energy Correction
21:1421:14, 29 November 2015 diff hist +1 Rep:Mod:14willh →Reaction Activation Energies
21:1421:14, 29 November 2015 diff hist +137 Rep:Mod:14willh →Reaction Activation Energies
20:5920:59, 29 November 2015 diff hist +600 Rep:Mod:14willh →Reaction Activation Energies
20:5220:52, 29 November 2015 diff hist +12 Rep:Mod:14willh →IRC: Compute the Force Constant at Every n=1 Steps
20:3920:39, 29 November 2015 diff hist +99 Rep:Mod:14willh →IRC: Compute the Force Constant at Every n=1 Steps

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