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Accurate Density-Functional Calculation Of Core-Electron Binding Energies With A Scaled Polarized Triple-Zeta Basis Set .2. Confirmation With A Total Of Seventy-Six Cases. Chemical Physics 1997, 216, 91-98.
Accurate Density-Functional Calculation Of Core-Electron Binding Energies With A Scaled Polarized Triple-Zeta Basis Set .3. Extension To Open-Shell Molecules. Chemical Physics 1997, 216, 99-104.
Density Functional Calculations Of Core-Electron Binding Energies Of Amines. Application To (Ch3)(3)N-Ni And (Ch3)(4)N+-Ni. Chemical Physics Letters 1997, 264, 186-192.
Evidencing Intermolecular Effects With Core-Level Photoelectron Spectroscopy Via The Accurate Density Functional Calculation Of Core-Electron Binding Energies On Model Systems: Gamma-Aps As A Test. Journal of Physical Chemistry B 1997, 101, 10254-10261.
Accurate Density-Functional Calculation Of Core-Electron Binding Energies With A Scaled Polarized Triple-Zeta Basis Set. Twelve Test Cases And Application To Three C2H4O2 Isomers. Chemical Physics Letters 1996, 249, 491-495.
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 Calculation Of Core-Electron Binding Energies Of Transition Metal Carbonyl And Nitrosyl Complexes. Chemical Physics Letters 1996, 262, 733-736.
Density Functional Calculation Of Core-Electron Binding Energies Of Glycine Conformers. Canadian Journal of Chemistry-Revue Canadienne De Chimie 1996, 74, 1005-1007.
Density Functional Computations For Inner-Shell Excitation Spectroscopy. Chemical Physics Letters 1996, 262, 729-732.
Accurate Calculation Of Core-Electron Binding-Energies By The Density-Functional Method. Chemical Physics Letters 1995, 232, 486-490.
Density-Functional Calculation Of Core-Electron Binding-Energies Of C, N, O, And F. Journal of Chemical Physics 1995, 103, 1842-1845.
Density-Functional Calculations Of Fermi Contact Hyperfine Coupling Parameters. Chemical Physics Letters 1995, 234, 405-412.
Comparison Of Molecular-Energy Predictions For The Neutral And Ionic (C, H-N, O N=0-4) System By Ab-Initio Gaussian-2 And Density-Functional Methods. Chemical Physics 1994, 179, 365-375.
On The Generation Of Orthogonal Polynomials Using Asymptotic Methods For Recurrence Coefficients. Journal of Computational Physics 1993, 104, 140-149.
Molecular-Solvent Model For An Electrical Double-Layer - Asymmetric Solvent Effects. Journal of Physical Chemistry 1993, 97, 12909-12918.
Electron Degradation And Thermalization In Ch4 Gas. Journal of Chemical Physics 1992, 97, 2061-2074.
Comparison Of Wkb (Wentzel-Kramers-Brillouin) And Swkb Solutions Of Fokker-Planck Equations With Exact Results - Application To Electron Thermalization. Canadian Journal of Physics 1991, 69, 712-719.
The Crystallization Of Alkali-Halides From Aqueous-Solution - An Application Of Density-Functional Theory. Journal of Chemical Physics 1991, 95, 485-493.
Interaction Free-Energy Between Planar Walls In Dense Fluids - An Ornstein-Zernike Approach With Results For Hard-Sphere, Lennard-Jones, And Dipolar Systems. Physical Review A 1991, 44, 8224-8234.
Quasi-Particle Equation From The Configuration-Interaction (Ci) Wave-Function Method. International Journal of Quantum Chemistry 1991, 40, 225-242.