Export 11 results:
Filters: Keyword is CORRELATED MOLECULAR CALCULATIONS  [Clear All Filters]
2002
Walker, N. R. ; Gerry, M. C. L. Microwave Spectra, Geometries, And Hyperfine Constants Of Ocagx (X = F, Cl, Br). Inorganic Chemistry 2002, 41, 1236-1244.
Walker, N. R. ; Reynard, L. M. ; Gerry, M. C. L. The Microwave Spectrum And Structure Of Kragf. Journal of Molecular Structure 2002, 612, 109-116.
2001
Walker, K. A. ; Evans, C. J. ; Suh, S. H. K. ; Gerry, M. C. L. ; Watson, J. K. G. Fourier Transform Microwave Spectroscopy Of Cyanides And Isocyanides Of Al, Ga, And In. Journal of Molecular Spectroscopy 2001, 209, 178-191.
Walker, N. R. ; Gerry, M. C. L. Microwave Spectra, Geometries, And Hyperfine Constants Of Occux (X = F, Cl, Br). Inorganic Chemistry 2001, 40, 6158-6166.
Reynard, L. M. ; Evans, C. J. ; Gerry, M. C. L. 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.
Shapley, W. A. ; Chong, D. P. Pw86-Pw91 Density Functional Calculation Of Vertical Ionization Potentials: Some Implications For Present-Day Functionals. International Journal of Quantum Chemistry 2001, 81, 34-52.
2000
Evans, C. J. ; Gerry, M. C. L. 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.
Evans, C. J. ; Rubinoff, D. S. ; Gerry, M. C. L. 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.
Evans, C. J. ; Lesarri, A. ; Gerry, M. C. L. 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.
1995
Chong, D. P. Completeness Profiles Of One-Electron Basis-Sets. Canadian Journal of Chemistry-Revue Canadienne De Chimie 1995, 73, 79-83.
Cohen, M. J. ; Chong, D. P. Density-Functional Calculations Of Fermi Contact Hyperfine Coupling Parameters. Chemical Physics Letters 1995, 234, 405-412.