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  • Nicholas C Handy FRS
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  • Nicholas C Handy FRS Publications (2003)


    The internal coordinate path Hamiltonian; application to methanol and malonaldehyde
    Tew DP, Handy NC, Carter S, Irle S, Bowman J
    MOL PHYS, 2003, 23-24, 3513-3525. DOI: 10.1080/0026897042000178079


    Fractional numbers of electrons in Kohn-Sham theory
    Tozer DJ, Handy NC, Cohen AJ
    CHEM PHYS LETT, 2003, 01-Feb, 203-210. DOI: 10.1016/j.cplett.2003.10.025


    Infrared intensities from the MULTIMODE code
    Burcl R, Carter S, Handy NC
    CHEM PHYS LETT, 2003, 03-Apr, 237-244. DOI: 10.1016/j.cplett.2003.09.099


    Density functional calculations, using Slater basis sets, with exact exchange
    Watson MA, Handy NC, Cohen AJ
    J CHEM PHYS, 2003, 13, 6475-6481. DOI: 10.1063/1.1604371


    The importance of the asymptotic exchange-correlation potential in density functional theory
    Tozer DJ, Handy NC
    MOL PHYS, 2003, 17, 2669-2675. DOI: 10.1080/0026897031000094443


    The role of the basis set: Assessing density functional theory
    Boese AD, Martin JML, Handy NC
    J CHEM PHYS, 2003, 6, 3005-3014. DOI: 10.1063/1.1589004


    Theoretical study of the Renner-Teller A(2)A(1) - (XB1)-B-2 system of NH2 (vol 81, pg 1445, 1994)
    Gabriel W, Chambaud G, Rosmus P, Carter S, Handy NC
    MOL PHYS, 2003, 12, 1933-1933. DOI: 10.1080/0026897031000112406


    Vibrational spectra of furan, pyrrole, and thiophene from a density functional theory anharmonic force field.
    Burcl R, Handy NC, Carter S
    Spectrochim Acta A Mol Biomol Spectrosc, 2003-06, 8, 1881-1893.


    On the representation of potential energy surfaces of polyatomic molecules in normal coordinates: II. Parameterisation of the force field
    Burcl R, Carter S, Handy NC
    CHEM PHYS LETT, 2003, 03-Apr, 357-365. DOI: 10.1016/S0009-2614(03)00552-9


    The barrier to inversion of ammonia
    Leonard C, Carter S, Handy NC
    CHEM PHYS LETT, 2003, 03-Apr, 360-365. DOI: 10.1016/S0009-2614(03)00107-6


    Anharmonic frequencies and Berry pseudorotation motion in PF5
    Caligiana A, Aquilanti V, Burcl R, Handy NC, Tew DP
    CHEM PHYS LETT, 2003, 03-Apr, 335-344. DOI: 10.1016/S0009-2614(02)02024-9


    The rovibrational levels of ammonia
    Colwell SM, Carter S, Handy NC
    MOL PHYS, 2003, 04-May, 523-544. DOI: 10.1080/00268970210159451



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