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  • Nicholas C Handy FRS
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  • Nicholas C Handy FRS Publications (1999)


    Evaluation of the performance of the HCTH exchange-correlation functional using a benchmark of sulfur compounds
    Altmann JA, Handy NC
    PHYS CHEM CHEM PHYS, 1999, 24, 5529-5536.


    Toward coupled-cluster accuracy in the prediction of nuclear shielding constants: a simple and efficient DFT approach
    Wison PJ, Amos RD, Handy NC
    CHEM PHYS LETT, 1999, 05-Jun, 475-484.


    Does density functional theory contribute to the understanding of excited states of unsaturated organic compounds?
    Tozer DJ, Amos RD, Handy NC, Roos BO, Serrano-Andres L
    MOL PHYS, 1999, 7, 859-868.


    Density functional predictions for magnetizabilities and nuclear shielding constants
    Wilson PJ, Amos RD, Handy NC
    MOL PHYS, 1999, 6, 757-768.


    Potential energy function and vibrational states of N2CO+
    Hochlaf M, Leonard C, Ferguson EE, Rosmus P, Reinsch EA, Carter S, Handy NC
    J CHEM PHYS, 1999, 11, 4948-4955.


    Predicting the binding energies of H-bonded complexes: A comparative DFT study
    Tuma C, Boese AD, Handy NC
    PHYS CHEM CHEM PHYS, 1999, 17, 3939-3947.


    Potential energy curves for PO, calculated using DFT and MRCI methodology
    Spielfiedel A, Handy NC
    PHYS CHEM CHEM PHYS, 1999, 10, 2401-2409.


    Density functional calculations of the hyperpolarisabilities of small molecules
    Cohen AJ, Handy NC, Tozer DJ
    CHEM PHYS LETT, 1999, 03-Apr, 391-398.


    Optimized Lieb-Oxford bound for the exchange-correlation energy
    Chan GKL, Handy NC
    PHYS REV A, 1999-04, 4, 3075-3077.


    Kinetic-energy systems, density scaling, and homogeneity relations in density-functional theory
    Chan GKL, Handy NC
    PHYS REV A, 1999-04, 4, 2670-2679.


    Potential energy function and vibrational states of the electronic ground state of N-4(+)
    Leonard C, Rosmus P, Carter S, Handy NC
    J PHYS CHEM A, 1999, 12, 1846-1852.


    Hydration of UO22+ and PuO22+
    Spencer S, Gagliardi L, Handy NC, Ioannou AG, Skylaris CK, Willetts A, Simper AM
    J PHYS CHEM A, 1999, 12, 1831-1837.


    The vibrational energy levels of ammonia
    Handy NC, Carter S, Colwell SM
    MOL PHYS, 1999, 4, 477-491.


    The vibrational-rotational energy levels of silanone
    Koput J, Carter S, Handy NC
    CHEM PHYS LETT, 1999, 01-Feb, 1-9.


    Excitation energies of benzene from Kohn-Sham theory
    Handy NC, Tozer DJ
    J COMPUT CHEM, 1999, 1, 106-113.


    Exchange vector potentials in current-density functional theory
    Lee AM, Handy NC
    PHYS REV A, 1999-01, 1, 209-222.



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