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Density Functional Theory Calculation Of 2P Core-Electron Binding Energies Of Si, P, S, Cl, And Ar In Gas-Phase Molecules. Journal of Electron Spectroscopy and Related Phenomena 2006, 151, 9-13.
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.
Dft Calculation Of Core-Electron Binding Energies. Journal of Electron Spectroscopy and Related Phenomena 2003, 133, 69-76.
Dft Calculations Of Core-Electron Binding Energies Of The Peptide Bond. Journal of Physical Chemistry A 2002, 106, 356-362.
Pw86-Pw91 Density Functional Calculation Of Vertical Ionization Potentials: Some Implications For Present-Day Functionals. International Journal of Quantum Chemistry 2001, 81, 34-52.
Accurate Density-Functional Calculation Of Core-Electron Binding Energies By A Total-Energy Difference Approach. Journal of Chemical Physics 1999, 111, 9485-9492.
Accurate Calculation Of Core-Electron Binding-Energies By The Density-Functional Method. Chemical Physics Letters 1995, 232, 486-490.
Density-Functional Calculations Of Fermi Contact Hyperfine Coupling Parameters. Chemical Physics Letters 1995, 234, 405-412.