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  • Nicholas C Handy FRS
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  • Nicholas C Handy FRS Publications (1992)


    KOHN-SHAM BOND LENGTHS AND FREQUENCIES CALCULATED WITH ACCURATE QUADRATURE AND LARGE BASIS-SETS
    MURRAY CW, LAMING GJ, HANDY NC, AMOS RD
    CHEM PHYS LETT, 1992, 6, 551-556.


    GRADIENT THEORY APPLIED TO RESTRICTED (OPEN-SHELL) MOLLER-PLESSET THEORY
    TOZER DJ, ANDREWS JS, AMOS RD, HANDY NC
    CHEM PHYS LETT, 1992, 03-Apr, 229-236.


    COMPARISON AND ASSESSMENT OF DIFFERENT FORMS OF OPEN-SHELL PERTURBATION-THEORY
    MURRAY CW, HANDY NC
    J CHEM PHYS, 1992, 9, 6509-6516.


    ROVIBRONIC (2)B(1)(PI(U))-(2)A(1) SPECTRUM OF THE BH2 RADICAL
    BROMMER M, ROSMUS P, CARTER S, HANDY NC
    MOL PHYS, 1992, 3, 549-561.


    THEORETICAL CALCULATIONS OF THE NUCLEAR MAGNETIC SHIELDING TENSORS FOR THE ETHYLENIC CARBON-ATOMS IN CYCLOPROPENES
    SMITH CM, AMOS RD, HANDY NC
    MOL PHYS, 1992, 2, 381-396.


    ON THE OPTIMIZATION OF EXPONENTS OF D-POLARIZATION AND F-POLARIZATION FUNCTIONS FOR 1ST ROW ATOMS
    BEARPARK MJ, HANDY NC
    THEOR CHIM ACTA, 1992-10, 01-Feb, 115-124.


    THE HARMONIC FREQUENCIES OF BENZENE
    HANDY NC, MASLEN PE, AMOS RD, ANDREWS JS, MURRAY CW, LAMING GJ
    CHEM PHYS LETT, 1992, 04-May, 506-515.


    HIGHER ANALYTIC DERIVATIVES.4. ANHARMONIC EFFECTS IN THE BENZENE SPECTRUM
    MASLEN PE, HANDY NC, AMOS RD, JAYATILAKA D
    J CHEM PHYS, 1992, 6, 4233-4254.


    POPLE AND BOYS
    HANDY NC
    CHEM BRIT, 1992-08, 8, 709-709.


    THE EQUILIBRIUM STRUCTURE OF HCN
    CARTER S, MILLS IM, HANDY NC
    J CHEM PHYS, 1992, 2, 1606-1607.


    THE CALCULATION OF FREQUENCY-DEPENDENT HYPERPOLARIZABILITIES INCLUDING ELECTRON CORRELATION-EFFECTS
    RICE JE, HANDY NC
    INT J QUANTUM CHEM, 1992, 1, 91-118.


    COMPARISON OF THE BRUECKNER AND COUPLED-CLUSTER APPROACHES TO ELECTRON CORRELATION
    LEE TJ, KOBAYASHI R, HANDY NC, AMOS RD
    J CHEM PHYS, 1992, 12, 8931-8937.


    AN INVESTIGATION OF THE 3 OXIDATION FORMS OF LUMIFLAVIN
    VAZQUEZ SA, ANDREWS JS, MURRAY CW, AMOS RD, HANDY NC
    J CHEM SOC PERK T 2, 1992-06, 6, 889-895.


    CUMULATIVE REACTION PROBABILITIES FOR H+H2-]H2+H FROM A KNOWLEDGE OF THE ANHARMONIC-FORCE FIELD
    COHEN MJ, HANDY NC, HERNANDEZ R, MILLER WH
    CHEM PHYS LETT, 1992, 4, 407-416.


    IMPLICATIONS OF UNITARY INVARIANCE FOR GRADIENT THEORY
    JAYATILAKA D, HANDY NC
    INT J QUANTUM CHEM, 1992, 3, 445-458.


    BOND LENGTH AND REACTIVITY - THE GAUCHE EFFECT - A COMBINED CRYSTALLOGRAPHIC AND THEORETICAL INVESTIGATION OF THE EFFECTS OF BETA-SUBSTITUENTS ON C-OX BOND LENGTH
    AMOS RD, HANDY NC, JONES PG, KIRBY AJ, PARKER JK, PERCY JM, SU MD
    J CHEM SOC PERK T 2, 1992-04, 4, 549-558.


    HIGHER ANALYTIC DERIVATIVES.3. GEOMETRICAL DERIVATIVES OF THE DIPOLE AND DIPOLE POLARIZABILITIES
    JAYATILAKA D, MASLEN PE, AMOS RD, HANDY NC
    MOL PHYS, 1992, 2, 271-291.



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