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  • Nicholas C Handy FRS
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  • Nicholas C Handy FRS Publications (1993)


    KOHN-SHAM CALCULATIONS ON OPEN-SHELL DIATOMIC-MOLECULES
    LAMING GJ, HANDY NC, AMOS RD
    MOL PHYS, 1993, 5, 1121-1134.


    A GENERAL-PURPOSE EXCHANGE-CORRELATION ENERGY FUNCTIONAL
    LAMING GJ, TERMATH V, HANDY NC
    J CHEM PHYS, 1993, 11, 8765-8773.


    DISSOCIATION OF HYDROGEN AND NITROGEN MOLECULES STUDIED USING DENSITY-FUNCTIONAL THEORY
    LEE AM, HANDY NC
    J CHEM SOC FARADAY T, 1993, 22, 3999-4003.


    SPIN-ORBIT INTERACTIONS FROM SELF-CONSISTENT-FIELD WAVE-FUNCTIONS
    BEARPARK MJ, HANDY NC, PALMIERI P, TARRONI R
    MOL PHYS, 1993, 3, 479-502.


    CUMULATIVE REACTION PROBABILITIES FOR OH+H2-]H2O+H AND CLH+CL-]CL+HCL FROM A KNOWLEDGE OF THE ANHARMONIC-FORCE FIELD
    COHEN MJ, WILLETTS A, HANDY NC
    J CHEM PHYS, 1993, 8, 5885-5897.


    VIBRATION-ROTATION VARIATIONAL CALCULATIONS - PRECISE RESULTS ON HCN UP TO 25000 CM-1
    CARTER S, MILLS IM, HANDY NC
    J CHEM PHYS, 1993, 6, 4379-4390.


    THE FEENBERG SERIES - AN ALTERNATIVE TO THE MOLLER-PLESSET SERIES
    SCHMIDT C, WARKEN M, HANDY NC
    CHEM PHYS LETT, 1993, 02-Mar, 272-281.


    THE DETERMINATION OF HYPERPOLARIZABILITIES USING DENSITY-FUNCTIONAL THEORY
    COLWELL SM, MURRAY CW, HANDY NC, AMOS RD
    CHEM PHYS LETT, 1993, 01-Mar, 261-268.


    THEORETICAL INTEGRATED VIBRATIONAL BAND INTENSITIES OF WATER-VAPOR
    GABRIEL W, REINSCH EA, ROSMUS P, CARTER S, HANDY NC
    J CHEM PHYS, 1993, 2, 897-900.


    THEORY AND APPLICATIONS OF SPIN-RESTRICTED OPEN-SHELL MOLLER-PLESSET THEORY
    TOZER DJ, HANDY NC, AMOS RD, POPLE JA, NOBES RH, XIE YM, SCHAEFER HF
    MOL PHYS, 1993-07, 4, 777-793.


    ELECTRON-DENSITIES FROM THE BRUECKNER DOUBLES METHOD
    VANHEUSDEN CM, KOBAYASHI R, AMOS RD, HANDY NC
    THEOR CHIM ACTA, 1993-07, 01-Feb, 25-39.


    DENSITY FUNCTIONALS AND DIMENSIONAL RENORMALIZATION FOR AN EXACTLY SOLVABLE MODEL
    KAIS S, HERSCHBACH DR, HANDY NC, MURRAY CW, LAMING GJ
    J CHEM PHYS, 1993, 1, 417-425.


    THE HARMONIC AND THE ANHARMONIC-FORCE FIELD OF FSN
    TARRONI R, PALMIERI P, HUHN MM, HANDY NC
    CHEM PHYS LETT, 1993, 02-Mar, 195-202.


    STRUCTURE AND PROPERTIES OF DISILYNE
    HUHN MM, AMOS RD, KOBAYASHI R, HANDY NC
    J CHEM PHYS, 1993, 9, 7107-7112.


    A STUDY OF O-3, S-3, CH-2, AND BE-2 USING KOHN-SHAM THEORY WITH ACCURATE QUADRATURE AND LARGE BASIS-SETS
    MURRAY CW, HANDY NC, AMOS RD
    J CHEM PHYS, 1993, 9, 7145-7151.


    STUDY OF CH4, C2H2, C2H4, AND C6H6 USING KOHN-SHAM THEORY
    HANDY NC, MURRAY CW, AMOS RD
    J PHYS CHEM-US, 1993, 17, 4392-4396.


    THEORETICAL SPIN-ROVIBRONIC (2)A(1)(PI(U))-(2)B(1) SPECTRUM OF THE H2O+, HDO+, AND D2O+ CATIONS
    BROMMER M, WEIS B, FOLLMEG B, ROSMUS P, CARTER S, HANDY NC, WERNER HJ, KNOWLES PJ
    J CHEM PHYS, 1993, 7, 5222-5234.


    STRUCTURE AND VIBRATIONAL FREQUENCIES OF CNN AND SINN USING NONLOCAL DENSITY FUNCTIONAL THEORY
    MURRAY CW, LAMING GJ, HANDY NC, AMOS RD
    J PHYS CHEM-US, 1993, 9, 1868-1871.


    QUADRATURE SCHEMES FOR INTEGRALS OF DENSITY FUNCTIONAL THEORY
    MURRAY CW, HANDY NC, LAMING GJ
    MOL PHYS, 1993-03, 4, 997-1014.


    A STUDY OF THE GROUND ELECTRONIC STATE OF THE ISOMERS OF CHNO
    PINNAVAIA N, BRAMLEY MJ, SU MD, GREEN WH, HANDY NC
    MOL PHYS, 1993, 2, 319-343.


    STRUCTURES AND VIBRATIONAL FREQUENCIES OF FOOF AND FONO USING DENSITY FUNCTIONAL THEORY
    AMOS RD, MURRAY CW, HANDY NC
    CHEM PHYS LETT, 1993, 6, 489-494.


    A REFINED QUARTIC FORCEFIELD FOR ACETYLENE - ACCURATE CALCULATION OF THE VIBRATIONAL-SPECTRUM
    BRAMLEY MJ, CARTER S, HANDY NC, MILLS IM
    J MOL SPECTROSC, 1993-02, 2, 301-336.


    EFFICIENT CALCULATION OF ROVIBRATIONAL EIGENSTATES OF SEQUENTIALLY BONDED 4-ATOM MOLECULES
    BRAMLEY MJ, HANDY NC
    J CHEM PHYS, 1993, 2, 1378-1397.


    LOW-SPIN OPEN-SHELL PERTURBATION-THEORY
    ANDREWS JS, MURRAY CW, HANDY NC
    CHEM PHYS LETT, 1993, 05-Jun, 458-464.


    ANALYTIC 2ND DERIVATIVES OF THE POTENTIAL-ENERGY SURFACE
    HANDY NC, TOZER DJ, LAMING GJ, MURRAY CW, AMOS RD
    ISRAEL J CHEM, 1993, 3, 331-344.



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