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  • Nicholas C Handy FRS
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  • Nicholas C Handy FRS Publications (1995)


    THE DENSITY-FUNCTIONAL CALCULATION OF NUCLEAR SHIELDING CONSTANTS USING LONDON ATOMIC ORBITALS
    LEE AM, HANDY NC, COLWELL SM
    J CHEM PHYS, 1995, 23, 10095-10109.


    ON THE FORM OF THE EXACT QUANTUM-MECHANICAL VIBRATIONAL KINETIC-ENERGY OPERATOR FOR PENTA-ATOMIC MOLECULES IN INTERNAL COORDINATES
    CSASZAR AG, HANDY NC
    MOL PHYS, 1995, 5, 959-979.


    INVESTIGATIONS USING THE BECKE-ROUSSEL EXCHANGE FUNCTIONAL
    NEUMANN R, HANDY NC
    CHEM PHYS LETT, 1995, 04-May, 381-386.


    SPIN-UNRESTRICTED CHARACTER OF KOHN-SHAM ORBITALS FOR OPEN-SHELL SYSTEMS
    POPLE JA, GILL PMW, HANDY NC
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1995, 4, 303-305.


    THE STATIC POLARIZABILITIES AND HYPERPOLARIZABILITIES OF LI-2
    PAPADOPOULOS MG, WILLETTS A, HANDY NC, BUCKINGHAM AD
    MOL PHYS, 1995, 6, 1193-1203.


    THE VIBRATIONS OF FORMALDEHYDE
    CARTER S, PINNAVAIA N, HANDY NC
    CHEM PHYS LETT, 1995, 05-Jun, 400-408.


    SOFT-X-RAY PHOTOABSORPTION OF THE NO DIMER
    JIGATO MP, TERMATH V, GARDNER P, HANDY NC, KING DA, RASSIAS S, SURMAN M
    MOL PHYS, 1995, 3, 619-633.


    THE PREDICTION OF SPECTROSCOPIC PROPERTIES FROM THE QUARTIC FORCE-FIELD OF NOBR
    KLATT G, WILLETTS A, HANDY NC, ESPOSTI CD
    CHEM PHYS LETT, 1995, 03-Apr, 273-278.


    THE ANHARMONIC CONSTANTS FOR A SYMMETRICAL-TOP
    WILLETTS A, HANDY NC
    CHEM PHYS LETT, 1995, 03-Apr, 286-290.


    MOLECULAR POLARIZABILITIES - A COMPARISON OF DENSITY-FUNCTIONAL THEORY WITH STANDARD AB-INITIO METHODS
    MCDOWELL SAC, AMOS RD, HANDY NC
    CHEM PHYS LETT, 1995, 01-Feb, 1-4.


    EXACT QUANTUM-MECHANICAL VIBRATIONAL KINETIC-ENERGY OPERATOR OF SEQUENTIALLY BONDED MOLECULES IN VALENCE INTERNAL COORDINATES
    CSASZAR AG, HANDY NC
    J CHEM PHYS, 1995, 10, 3962-3967.


    HOWARD,BRIAN
    SCHAEFER HF, HANDY NC, JACKSON G, MILLS IM
    MOL PHYS, 1995, 3, 451-451.


    COMPARISON OF THE GAUSSIAN AND BESSEL-FUNCTION EXCHANGE FUNCTIONALS WITH THE HARTREE-FOCK EXCHANGE FOR MOLECULES
    LAMING GJ, HANDY NC, MILLER WH
    J PHYS CHEM-US, 1995, 7, 1880-1888.


    AN IMPROVED ANHARMONIC-FORCE FIELD OF CHCLF2
    PALMIERI P, TARRONI R, HUHN MM, HANDY NC, WILLETTS A
    CHEM PHYS, 1995, 02-Mar, 327-344.


    Implementation of Analytic Derivative Density Functional Theory codes on scalar and parallel architectures
    Tozer DJ, Mura ME, Amos RD, Handy NC
    E.C.C.C. 1 COMPUTATIONAL CHEMISTRY, 1995, 3-24.


    CUBOIDAL BASIS FUNCTIONS
    MURA ME, HANDY NC
    THEOR CHIM ACTA, 1995-01, 02-Mar, 145-165.



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