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Filters: Keyword is functional theory  [Clear All Filters]
2009
Zhang, Y. A. ; Wang*, Y. A. Are The Unconventional Density Variations Really Unconventional?. Int. J. Quantum Chem. 2009, 109, 3199-3216.
2008
Tayyari*, S. F. ; Najafi, A. ; Afzali, R. ; Emamian, S. ; Wang, Y. A. Structure And Vibrational Assignment Of The Enol Form Of 1-Chloro-1,1 Difluoro-Pentane-2,4-Dione. J. Mol. Struct. 2008, 878, 10-21.
2002
Otsuka, T. ; Koizumi, S. ; Endo, K. ; Chong, D. P. Theoretical X-Ray Photoelectron And Auger Electron Spectra Of Polymers By Density Functional Theory Calculations Using Model Dimers. Journal of Molecular Structure-Theochem 2002, 619, 241-247.
1998
Chong, D. P. ; Hu, C. H. Density-Functional Calculation Of The Inner-Shell Spectra For Two Stable Enol Tautomers: Acetylacetone And Malonaldehyde. Journal of Electron Spectroscopy and Related Phenomena 1998, 94, 181-185.
1997
Bureau, C. ; Chong, D. P. ; Lecayon, G. ; Delhalle, J. Accurate Density Functional Calculation Of Core Electron Binding Energies .5. Application To Nitriles. Model Molecules For Polyacrylonitrile Revisited. Journal of Electron Spectroscopy and Related Phenomena 1997, 83, 227-234.