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Density Functional Theory Calculation Of 2P Spectra Of Sih4, Ph3, H2S, Hcl, And Ar. International Journal of Quantum Chemistry 2008, 108, 1358-1368.
Ansatz For The Evaluation Of The Relativistic Contributions To Core Ionization Energies In Complex Molecules Involving Heavy Atoms. International Journal of Quantum Chemistry 2005, 104, 397-410.
Density Functional Calculation Of K-Shell Spectra Of Small Molecules. Journal of Electron Spectroscopy and Related Phenomena 2005, 148, 115-121.
Is Ham/3 (Hydrogenic Atoms In Molecules, Version 3) A Semiempirical Version Of Dft (Density Functional Theory) For Ionization Processes?. Journal of the Brazilian Chemical Society 2004, 15, 282-291.
Analysis Of X-Ray Photoelectron Spectra Of Electrochemically Prepared Polyaniline By Dft Calculations Using Model Molecules. Journal of Molecular Structure 2002, 608, 175-182.
Interpretation Of The Kohn-Sham Orbital Energies As Approximate Vertical Ionization Potentials. Journal of Chemical Physics 2002, 116, 1760-1772.
Analysis Of Xps And Xes Of Diamond And Graphite By Dft Calculations Using Model Molecules. Journal of Computational Chemistry 2001, 22, 102-108.
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.
Recent Advances In The Practical And Accurate Calculation Of Core And Valence Xps Spectra Of Polymers: From Interpretation To Simulation?. Nuclear Instruments & Methods in Physics Research Section B-Beam Interactions with Materials and Atoms 1997, 131, 1-12.
Analysis Of X-Ray Photoelectron Spectra Of Eight Polymers By Demon Density-Functional Calculations Using The Model Oligomers. Journal of Physical Chemistry 1996, 100, 19455-19460.
Density Functional Computations For Inner-Shell Excitation Spectroscopy. Chemical Physics Letters 1996, 262, 729-732.