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User contributions for Jp806

Results for Jp806 talk block log uploads logs

A user with 790 edits. Account created on 19 October 2007.

15:2515:25, 3 December 2008 diff hist −2 Mod:Gaussian →Pseudo-Potentials
15:2515:25, 3 December 2008 diff hist −14 Mod:Gaussian →Density Functionals Theory (DFT)
15:2515:25, 3 December 2008 diff hist 0 Mod:Gaussian →The Meaning of Optimisation in Gaussian<ref name="gaussian">Foresman and Frisch, Exploring Chemistry with Electronic Structure Methods, Gaussian Inc. Secon Edition, 1993</ref>
15:2315:23, 3 December 2008 diff hist +3 Mod:Gaussian →The Meaning of Optimisation in Gaussian<ref name="gaussian">Foresman and Frisch, Exploring Chemistry with Electronic Structure Methods, Gaussian Inc. Secon Edition, 1993</ref>
15:2315:23, 3 December 2008 diff hist +8 Mod:Gaussian →The Meaning of Optimisation in Gaussian<ref name="gaussian">Foresman and Frisch, Exploring Chemistry with Electronic Structure Methods, Gaussian Inc. Secon Edition, 1993</ref>
15:1615:16, 3 December 2008 diff hist +65 Mod:MathematicalPseudoPotentialJustification No edit summary current
15:1215:12, 3 December 2008 diff hist +158 Mod:Gaussian →Meaning of a Basis Set
15:1015:10, 3 December 2008 diff hist −1 Mod:Gaussian →Minimal Basis Sets
15:0815:08, 3 December 2008 diff hist +105 Mod:Gaussian →Density Functionals Theory (DFT)
15:0615:06, 3 December 2008 diff hist +105 Mod:Gaussian →Hartree-Fock Approximation (HF)<ref>C.D. Sherill, Electronic Structure Theory, http://vergil.chemistry.gatech.edu/courses/chem4681/background/node2.html, Date Accessed:30/11/2008 </ref>
15:0515:05, 3 December 2008 diff hist −3 Mod:Gaussian →Pseudo-Potentials
15:0415:04, 3 December 2008 diff hist +12 Mod:Gaussian →Basis Sets
15:0315:03, 3 December 2008 diff hist +11 Mod:Gaussian →Split Valence Basis Sets
15:0115:01, 3 December 2008 diff hist +13 Mod:Gaussian →Basis Sets Used in this Lab<ref name="gaussian">Foresman and Frisch, Exploring Chemistry with Electronic Structure Methods, Gaussian Inc. Secon Edition, 1993</ref>
15:0115:01, 3 December 2008 diff hist +136 Mod:Gaussian →Basis Sets <ref name="gaussian">Foresman and Frisch, Exploring Chemistry with Electronic Structure Methods, Gaussian Inc. Secon Edition, 1993</ref>
15:0015:00, 3 December 2008 diff hist +4 Mod:Gaussian →Basis Sets
15:0015:00, 3 December 2008 diff hist +929 Mod:Gaussian →Basis Sets Used in this Lab
14:4914:49, 3 December 2008 diff hist 0 Mod:Gaussian →Pseudo-Potentials
14:4914:49, 3 December 2008 diff hist +106 Mod:Gaussian →Density Functionals Theory (DFT)
14:4814:48, 3 December 2008 diff hist 0 Mod:Gaussian →Levels of Theory
14:4714:47, 3 December 2008 diff hist +1 Mod:Gaussian →Levels of Theory
14:4714:47, 3 December 2008 diff hist +154 Mod:Gaussian →Hartree-Fock Approximation (HF)
14:4514:45, 3 December 2008 diff hist +125 Mod:Gaussian No edit summary
14:4514:45, 3 December 2008 diff hist +16 Mod:Gaussian →The Meaning of Optimisation in Gaussian<ref>Foresman and Frisch, Exploring Chemistry with Electronic Structure Methods, Gaussian Inc. Secon Edition, 1993</ref>
14:4414:44, 3 December 2008 diff hist +12 Mod:Gaussian →Basis Sets
14:4414:44, 3 December 2008 diff hist +2,102 Mod:Gaussian →Meaning of a Basis Set
14:1814:18, 3 December 2008 diff hist +250 Mod:Gaussian →Hartree-Fock Approximation (HF)

21:0421:04, 1 December 2008 diff hist +1,017 Mod:Gaussian →Hartree-Fock Approximation (HF)
20:2220:22, 1 December 2008 diff hist −44 Mod:Gaussian →Pseudo-Potentials
20:2120:21, 1 December 2008 diff hist +56 Mod:Gaussian →Møller-Plesset Pertubation Theory (MP2)
20:2020:20, 1 December 2008 diff hist 0 N File:Pseudopotentialgraph.jpg No edit summary current
20:1920:19, 1 December 2008 diff hist +1,194 Mod:Gaussian →Pseudo-Potentials
20:1420:14, 1 December 2008 diff hist +142 Mod:Gaussian →Pseudo-Potentials
20:1320:13, 1 December 2008 diff hist 0 Mod:MathematicalPseudoPotentialJustification No edit summary
20:1320:13, 1 December 2008 diff hist +1,864 N Mod:MathematicalPseudoPotentialJustification New page: Following the mathematics presented by <ref>Haynes, The Pseudo Potential Approximation, http://www.tcm.phy.cam.ac.uk/~pdh1001/thesis/node19.html, Date Accessed: 08/11/2008</ref> clearly de...
20:1020:10, 1 December 2008 diff hist +67 Mod:Gaussian →Møller-Plesset Pertubation Theory (MP2)
20:0820:08, 1 December 2008 diff hist +72 Mod:Gaussian →Møller-Plesset Pertubation Theory (MP2)
20:0420:04, 1 December 2008 diff hist −5 Mod:Gaussian →Density Functionals Theory (DFT)
20:0420:04, 1 December 2008 diff hist −12 Mod:Gaussian →Density Functionals Theory (DFT)
20:0320:03, 1 December 2008 diff hist +17 Mod:Gaussian →Density Functionals Theory (DFT)
20:0320:03, 1 December 2008 diff hist −1 Mod:Gaussian →Density Functionals Theory (DFT)
20:0320:03, 1 December 2008 diff hist −1 Mod:Gaussian →Density Functionals Theory (DFT)
20:0020:00, 1 December 2008 diff hist +1 Mod:Gaussian →Møller-Plesset Pertubation Theory (MP2)

17:3117:31, 30 November 2008 diff hist 0 N File:Jp806qst2irctrace.jpg No edit summary current
17:3017:30, 30 November 2008 diff hist 0 N File:Jp806qst2ircstep2.jpg No edit summary current
17:3017:30, 30 November 2008 diff hist 0 N File:Jp806qst2ircstep1.jpg No edit summary current
17:0617:06, 30 November 2008 diff hist 0 N File:Jp806cisbutadienetsHOMO.jpg No edit summary current
17:0417:04, 30 November 2008 diff hist 0 N File:Jp806exohomo.jpg No edit summary current
17:0117:01, 30 November 2008 diff hist 0 N File:Jp806exots.jpg No edit summary current
17:0117:01, 30 November 2008 diff hist 0 N File:Jp806cisbutadieneLUMO.jpg No edit summary current

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