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Electron Binding Energies Of Si 2P And S 2P For Si- And S-Containing Substances By Dft Calculations Using The Model Molecules. Polymer Journal 2004, 36, 600-606.
The Pure Rotational Spectra And Hyperfine Constants Of Sbn And Sbp. Physical Chemistry Chemical Physics 2004, 6, 4579-4585.
Analysis Of Electron Spectra Of Carbon Allotropes (Diamond, Graphite, Fullerene) By Density Functional Theory Calculations Using The Model Molecules. Journal of Physical Chemistry A 2003, 107, 9403-9408.
Analysis Of X-Ray Photoelectron Spectra Of Electrochemically Prepared Polyaniline By Dft Calculations Using Model Molecules. Journal of Molecular Structure 2002, 608, 175-182.
Dft Calculations Of Core-Electron Binding Energies Of The Peptide Bond. Journal of Physical Chemistry A 2002, 106, 356-362.
Theoretical Auger Electron And X-Ray Emission Spectra Of Co And H2O By Density Functional Theory Calculations. Chemical Physics Letters 2002, 352, 511-520.
Theoretical Auger Electron Spectra Of Polymers By Density Functional Theory Calculations Using Model Dimers. Journal of Computational Chemistry 2002, 23, 394-401.
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.
Analysis Of Xps And Xes Of Diamond And Graphite By Dft Calculations Using Model Molecules. Journal of Computational Chemistry 2001, 22, 102-108.
Theoretical X-Ray Photoelectron And Emission Spectra Of Si- And S-Containing Polymers By Density-Functional Theory Calculations Using Model Molecules. Journal of Molecular Structure 2001, 561, 17-28.
Accurate Density-Functional Calculation Of Core-Electron Binding Energies Of Some Substituted Benzenes. Bulletin of the Chemical Society of Japan 2000, 73, 2453-2460.
Accurate Density-Functional Calculation Of Core-Electron Binding Energies With A Scaled Polarized Triple-Zeta Basis Set - Vii. Effects Of Poorer Geometry And Poorer Basis Sets. Journal of Electron Spectroscopy and Related Phenomena 2000, 106, 1-6.
Computational Study Of Vertical Ionization Potentials Using Density Functional Theory And Green’S Function Methods. Journal of the Chinese Chemical Society 2000, 47, 141-147.
Density Functional Calculation Of Core-Electron Binding Energies Of Isomers Of C3H6O2 And C3H5No. International Journal of Quantum Chemistry 2000, 76, 44-50.
Forces Between Like-Charged Walls In An Electrolyte Solution: A Comparison Of Mcmillan-Mayer Results For Several Models. Journal of Chemical Physics 2000, 113, 2851-2855.
Accurate Density-Functional Calculation Of Core-Electron Binding Energies With A Scaled Polarized Triple-Zeta Basis Set. Vi: Extension To Boron-Containing Molecules. Canadian Journal of Chemistry-Revue Canadienne De Chimie 1999, 77, 24-27.
Accurate Density-Functional Calculation Of Core-Electron Binding Energies By A Total-Energy Difference Approach. Journal of Chemical Physics 1999, 111, 9485-9492.
Density-Functional Calculations Of Molecular Electron Affinities. Journal of the Brazilian Chemical Society 1999, 10, 354-358.
Accurate Density Functional Calculation Of Core-Electron Binding Energies With A Scaled Polarized Triple-Zeta Basis Set. Iv. Application To Isomers Of C3H6O, C3H3No, And C6H6. Journal of Chemical Physics 1998, 108, 8950-8956.
Accurate Density Functional Calculations Of Core Xps Spectra: Simulating Chemisorption And Intermolecular Effects On Real Systems?. Journal of Electron Spectroscopy and Related Phenomena 1998, 88, 657-663.
Analysis Of X-Ray Photoelectron Spectra Of Silicon-Based Polymers By Demon Density Functional Calculations Using Model Molecules. Polymer Journal 1998, 30, 142-148.
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.
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.