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- 14:36, 10 March 2016 Jl8913 talk contribs uploaded File:JLboat.mol (Jason Li Transition State attempt 1 boat transition state log file)
- 14:35, 10 March 2016 Jl8913 talk contribs uploaded File:JLboat.LOG (Jason Li Transition State attempt 1 boat transition state QST2)
- 14:17, 10 March 2016 Jl8913 talk contribs uploaded File:JLboatlabel.png (Jason Li Transition State boat transition state reactant and product atoms labelled)
- 12:11, 10 March 2016 Jl8913 talk contribs uploaded File:JLchairboat.png (Jason Li Transition State Image showing chair and boat conformer)
- 12:10, 10 March 2016 Jl8913 talk contribs uploaded File:Chairboat.png (Jason Li Transition State Image showing chair and boat conformer)
- 11:35, 10 March 2016 Jl8913 talk contribs uploaded File:JLchairfrozen.mol (Jason Li Transition State chair transition state frozen bond method mol file)
- 11:19, 10 March 2016 Jl8913 talk contribs uploaded File:JLchairguess.mol (Jason Li Transition State chair transition state guess method mol file)
- 11:15, 10 March 2016 Jl8913 talk contribs uploaded File:JLallyl.mol (Jason Li Transition Structure allyl fragment mol file)
- 03:00, 10 March 2016 Jl8913 talk contribs uploaded File:JLchairfrozen.LOG (Jason Li Transition State chair transition state using frozen bond method log file)
- 02:14, 10 March 2016 Jl8913 talk contribs uploaded File:JLchairguess.LOG (Jason Li Transition State chair transition state log file)
- 01:57, 10 March 2016 Jl8913 talk contribs uploaded File:JLallyl.LOG (Jason Li Transition State Allyl fragment log file)
- 21:16, 9 March 2016 Jl8913 talk contribs uploaded File:JLanti2 B3LYP Freq.LOG (Jason Li Transition State anti 2 conformer IR frequency log file)
- 21:07, 9 March 2016 Jl8913 talk contribs uploaded File:JLIRanti2.PNG (Jason Li Transition State anti B3LYP IR)
- 19:56, 9 March 2016 Jl8913 talk contribs uploaded a new version of File:JLanti2 B3LYP OPT.LOG
- 18:53, 9 March 2016 Jl8913 talk contribs uploaded File:JLanti2label.png (Jason Li Transition State anti 2 atoms labelled)
- 18:52, 9 March 2016 Jl8913 talk contribs uploaded File:JLguache3label.png (Jason Li Transition State gauche 3 atoms labelled)
- 18:44, 9 March 2016 Jl8913 talk contribs uploaded a new version of File:JLB3LYPanti2.mol
- 18:42, 9 March 2016 Jl8913 talk contribs uploaded File:JLB3LYPanti2.mol (Jason Li transition state jmol)
- 18:38, 9 March 2016 Jl8913 talk contribs uploaded a new version of File:JLanti2 B3LYP.mol
- 18:21, 9 March 2016 Jl8913 talk contribs uploaded File:JLanti2 B3LYP.mol (Jason Li Transition State anti 2 B3LYP.Jmol)
- 18:19, 9 March 2016 Jl8913 talk contribs uploaded File:JLanti2 B3LYP OPT.LOG (Jason Li Transition State anti 2 B3LYP log file)
- 17:25, 9 March 2016 Jl8913 talk contribs uploaded File:JLMOgauche3.PNG (Jason Li Transition State gauche3 MO)
- 17:25, 9 March 2016 Jl8913 talk contribs uploaded File:JLMOanti2.PNG (Jason Li Transition State anti MO)
- 16:34, 9 March 2016 Jl8913 talk contribs uploaded File:JLgauche3.LOG (Jason Li Transition State gauche 3 log file)
- 16:32, 9 March 2016 Jl8913 talk contribs uploaded File:JLanti2.LOG (Jason Li Transition State anti 2 log file)
- 16:29, 9 March 2016 Jl8913 talk contribs uploaded File:JLgauche3.mol (Jason Li Transition State gauche 3 Jmol)
- 16:28, 9 March 2016 Jl8913 talk contribs uploaded File:JLanti2.mol (Jason Li Transition State anti 2 Jmol)
- 16:00, 9 March 2016 Jl8913 talk contribs uploaded File:JLconformer.png (Jason Li Transition State, Conformer diagram)
- 19:53, 22 October 2015 Jl8913 talk contribs uploaded File:MgO MD 800K supercell.png (MgO supercell after calculation at 800K)
- 19:53, 22 October 2015 Jl8913 talk contribs uploaded a new version of File:MgO MD 800K.png (MgO after MD calculation at 800K)
- 19:50, 22 October 2015 Jl8913 talk contribs uploaded File:MgO MD 800K.png (Image of MgO after MD 800K calculation)
- 19:10, 22 October 2015 Jl8913 talk contribs uploaded File:MgO MDandQH.png (MgO molecular dynamics and quasi harmonic approximation of cell volume against temperature)
- 19:05, 22 October 2015 Jl8913 talk contribs uploaded File:MgO LCvsT QH 2.png (MgO lattice constant vs temperature using quasi harmonic)
- 18:52, 22 October 2015 Jl8913 talk contribs uploaded File:MgO LCvsT QH.png (MgO lattice constant vs temperature using quasi harmonic)
- 18:44, 22 October 2015 Jl8913 talk contribs uploaded a new version of File:MgO QH TvsE.png (MgO Free energy vs temperature using quasi-harmonic)
- 18:25, 22 October 2015 Jl8913 talk contribs uploaded File:MgO QH TvsE.png (Graph of MgO Free energy vs temperature using quasi-harmonic)
- 19:48, 21 October 2015 Jl8913 talk contribs uploaded File:MgO Crystal.png (MgO Crystal conventional cell)
- 19:10, 21 October 2015 Jl8913 talk contribs uploaded File:Harmonic image.jpg (Harmonic and anharmonic potential)
- 18:11, 21 October 2015 Jl8913 talk contribs uploaded File:Phonon DOS 16 gird.png (MgO Phonon DOS at 16x16x16)
- 17:46, 21 October 2015 Jl8913 talk contribs uploaded File:Phonon DOS.png (MgO Phonon Density of State gird 1x1x1)
- 17:30, 21 October 2015 Jl8913 talk contribs uploaded File:Phonon Dispersion(1).png (Phonon Dispersion of MgO crystal)
- 17:18, 21 October 2015 Jl8913 talk contribs uploaded File:Phonon Dispersion.ps (MgO Phonon Dispersion)
- 17:00, 21 October 2015 Jl8913 talk contribs uploaded File:MgO Phonon DOS 2.png (MgO Phonon density of states)
- 16:48, 21 October 2015 Jl8913 talk contribs uploaded File:MgO Phonon DOS jl8913.ps (MgO Phonon density of state of 1x1x1 gird)