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Filters: Keyword is GAUSSIAN-BASIS SETS [Clear All Filters]
Prediction Of Spectroscopic Constants For Diatomic Molecules In The Ground And Excited States Using Time-Dependent Density Functional Theory. Journal of Computational Chemistry 2006, 27, 163-173.
Xecu Covalent Bonding In Xecuf And Xecucl, Characterized By Fourier Transform Microwave Spectroscopy Supported By Quantum Chemical Calculations. Journal of the American Chemical Society 2006, 128, 7613-7621.
Microwave Spectra, Geometries, And Hyperfine Constants Of Ocagx (X = F, Cl, Br). Inorganic Chemistry 2002, 41, 1236-1244.
Fourier Transform Microwave Spectroscopy Of Cyanides And Isocyanides Of Al, Ga, And In. Journal of Molecular Spectroscopy 2001, 209, 178-191.
Microwave Spectra, Geometries, And Hyperfine Constants Of Occux (X = F, Cl, Br). Inorganic Chemistry 2001, 40, 6158-6166.
Microwave Spectrum, Structure, And Hyperfine Constants Of Kr-Agcl: Formation Of A Weak Kr-Ag Covalent Bond. Journal of Molecular Spectroscopy 2001, 206, 33-40.
Pure Rotational Spectra, Structures, And Hyperfine Constants Of Oc-Aux (X = F, Cl, Br). Inorganic Chemistry 2001, 40, 6123-6131.
Pw86-Pw91 Density Functional Calculation Of Vertical Ionization Potentials: Some Implications For Present-Day Functionals. International Journal of Quantum Chemistry 2001, 81, 34-52.
Noble Gas-Metal Chemical Bonding: The Microwave Spectra, Structures And Hyperfine Constants Of Ar-Auf And Ar-Aubr. Physical Chemistry Chemical Physics 2000, 2, 3943-3948.
Noble Gas-Metal Chemical Bonding? The Microwave Spectra, Structures, And Hyperfine Constants Of Ar-Cux (X = F, Cl, Br). Journal of Chemical Physics 2000, 112, 9363-9374.
Noble Gas-Metal Chemical Bonds. Microwave Spectra, Geometries, And Nuclear Quadrupole Coupling Constants Of Ar-Aucl And Kr-Aucl. Journal of the American Chemical Society 2000, 122, 6100-6105.
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.
Valence Orbital Electron Momentum Distributions For Oxygen: Comparison Of Ems Measurements With Theory. Chem. Phys. 1998, 230, 153-186.
Completeness Profiles Of One-Electron Basis-Sets. Canadian Journal of Chemistry-Revue Canadienne De Chimie 1995, 73, 79-83.
Density-Functional Calculations Of Fermi Contact Hyperfine Coupling Parameters. Chemical Physics Letters 1995, 234, 405-412.
First Spectroscopic Evidence For A Muonium-Containing Molecule - Nemu-Asterisk Chemiluminescence. Journal of Chemical Physics 1994, 101, 1202-1218.