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  • Nicholas C Handy FRS
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  • Nicholas C Handy FRS Publications (1996)


    Exchange-correlation potentials
    Tozer DJ, Ingamells VE, Handy NC
    J CHEM PHYS, 1996, 20, 9200-9213.


    Density functional theory studies on sulfur-nitrogen species
    Somasundram K, Handy NC
    J PHYS CHEM-US, 1996, 44, 17485-17489.


    C8H8: A density functional theory study of molecular geometries introducing the localised bond density
    Chan GKL, Handy NC
    J CHEM SOC FARADAY T, 1996, 17, 3015-3021.


    The geometry of formaldehyde
    Carter S, Handy NC
    J MOL SPECTROSC, 1996-09, 1, 65-72.


    The static polarizabilities and hyperpolarizabilities of LiH: Electronic and vibrational contributions
    Papadopoulos MG, Willetts A, Handy NC, Underhill AE
    MOL PHYS, 1996-07, 4, 1063-1075.


    The high-resolution infrared spectra of naphthalene-h(8) and naphthalene-d(8): Comparison of scaled SCF and density functional force fields
    Cane E, Palmieri P, Tarroni R, Trombetti A, Handy NC
    GAZZ CHIM ITAL, 1996-05, 5, 289-296.


    The adiabatic approximation
    Handy NC, Lee AM
    CHEM PHYS LETT, 1996, 05-Jun, 425-430.


    Samuel Francis Boys
    Handy NC, Pople JA, Shavitt I
    J PHYS CHEM-US, 1996, 15, 6007-6016.


    Molecular quantum mechanics: Methods and applications - An international conference in memory of Samuel Francis Boys and in honor of Isaiah Shavitt
    Handy NC, Schaefer HF
    J PHYS CHEM-US, 1996, 15, 6003-6006.


    Dynamical and nondynamical correlation
    Mok DKW, Neumann R, Handy NC
    JOURNAL OF PHYSICAL CHEMISTRY, 1996, 15, 6225-6230.


    Investigations using the Becke95 correlation functional
    Neumann R, Handy NC
    CHEM PHYS LETT, 1996, 01-Feb, 19-22.


    The diagonal Born-Oppenheimer correction for He-2(+) and F+H-2
    Ioannou AG, Amos RD, Handy NC
    CHEM PHYS LETT, 1996, 01-Feb, 52-58.


    Determination of frequency-dependent polarizabilities using current density-functional theory
    Colwell SM, Handy NC, Lee AM
    PHYS REV A, 1996-03, 3, 1316-1322.


    An improved anharmonic potential for CHF3
    Klatt G, Willetts A, Handy NC, Tarroni R, Palmieri P
    J MOL SPECTROSC, 1996-03, 1, 64-74.


    A study of the performance of numerical basis sets in DFT calculations on sulfur-containing molecules
    Altmann JA, Handy NC, Ingamells VE
    INT J QUANTUM CHEM, 1996, 4, 533-542.


    Anharmonic effects in the infra-red spectrum of SiH3Br - An ab initio study
    Klatt G, Willets A, Handy NC
    CHEM PHYS LETT, 1996, 03-Apr, 272-278.


    On the adiabatic connection method, and scaling of electron-electron interactions in the Thomas-Fermi limit
    Levy M, March NH, Handy NC
    J CHEM PHYS, 1996, 5, 1989-1992.


    Towards accurate exchange-correlation potentials for molecules
    Ingamells VE, Handy NC
    CHEM PHYS LETT, 1996, 05-Jun, 373-378.


    Exchange functionals and potentials
    Neumann R, Nobes RH, Handy NC
    MOL PHYS, 1996-01, 1, 1-36.



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