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  • Nicholas C Handy FRS
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  • Nicholas C Handy FRS Publications (1986)


    THE VARIATIONAL METHOD FOR THE CALCULATION OF RO-VIBRATIONAL ENERGY-LEVELS
    CARTER S, HANDY NC
    COMPUT PHYS REP, 1986-12, 3, 115-172.


    DISILENE, SILYLSILYLENE AND THEIR CATIONS
    SOMASUNDRAM K, AMOS RD, HANDY NC
    THEOR CHIM ACTA, 1986-12, 6, 393-406.


    GENERALIZATION OF ANALYTIC ENERGY 3RD DERIVATIVES FOR THE RHF CLOSED-SHELL WAVE-FUNCTION - DERIVATIVE ENERGY AND INTEGRAL FORMALISMS AND THE PREDICTION OF VIBRATION-ROTATION INTERACTION CONSTANTS
    GAW JF, YAMAGUCHI Y, SCHAEFER HF, HANDY NC
    J CHEM PHYS, 1986, 9, 5132-5142.


    THE EFFICIENT EVALUATION OF CONFIGURATION-INTERACTION ANALYTIC ENERGY 2ND DERIVATIVES - APPLICATION TO HYDROGEN THIOPEROXIDE, HSOH
    LEE TJ, HANDY NC, RICE JE, SCHEINER AC, SCHAEFER HF
    J CHEM PHYS, 1986, 7, 3930-3938.


    A STUDY OF NITROSYL FLUORIDE
    ALBERTS IL, HANDY NC, PALMIERI P
    CHEM PHYS LETT, 1986, 2, 176-180.


    BENCHMARK FULL CONFIGURATION-INTERACTION CALCULATIONS ON HF AND NH2
    BAUSCHLICHER CW, LANGHOFF SR, TAYLOR PR, HANDY NC, KNOWLES PJ
    J CHEM PHYS, 1986, 3, 1469-1474.


    ON THE ACCURACY OF HIGHER-ORDER FORCE-CONSTANTS CALCULATED AT THE SELF-CONSISTENT FIELD LEVEL OF THEORY
    GAW JF, HANDY NC
    CHEM PHYS LETT, 1986, 2, 182-188.


    THE ANALYTIC CONFIGURATION-INTERACTION GRADIENT-METHOD - APPLICATION TO THE CYCLIC AND OPEN ISOMERS OF THE S-3 MOLECULE
    RICE JE, AMOS RD, HANDY NC, LEE TJ, SCHAEFER HF
    J CHEM PHYS, 1986, 2, 963-968.


    ABINITIO CALCULATION FOR PROPERTIES OF HYDROGEN-BONDED COMPLEXES H3N=HCN, HCN=HCN, HCN=HF, H2O=HF
    SOMASUNDRAM K, AMOS RD, HANDY NC
    THEOR CHIM ACTA, 1986-06, 05-Jun, 491-503.


    REACTIONS INVOLVING CO2, H2O, AND NH3 - THE FORMATION OF (I) CARBAMIC ACID, (II) UREA, AND (III) CARBONIC-ACID
    BUCKINGHAM AD, HANDY NC, RICE JE, SOMASUNDRAM K, DIJKGRAAF C
    J COMPUT CHEM, 1986-06, 3, 283-293.


    THE DIAGONAL CORRECTION TO THE BORN-OPPENHEIMER APPROXIMATION - ITS EFFECT ON THE SINGLET-TRIPLET SPLITTING OF CH2 AND OTHER MOLECULAR EFFECTS
    HANDY NC, YAMAGUCHI Y, SCHAEFER HF
    J CHEM PHYS, 1986, 8, 4481-4484.


    SPIN-ORBIT AND DIAGONAL BORN-OPPENHEIMER CORRECTIONS FOR THE REACTION F+H-2-]HF+H
    HANDY NC, LEE TJ, MILLER WH
    CHEM PHYS LETT, 1986, 1, 12-18.


    ON THE ASSIGNMENT OF THE NU-2 AND NU-3 VIBRATIONAL LEVELS OF C2H4+
    SOMASUNDRAM K, HANDY NC
    J CHEM PHYS, 1986, 5, 2899-2901.


    A THEORETICAL-STUDY OF THE REACTION OF CA(4S4P3P) WITH H-2
    SIMANDIRAS ED, HANDY NC
    J CHEM SOC FARAD T 2, 1986-02, 269-274.


    THE BINDING-ENERGIES OF SMALL BERYLLIUM CLUSTERS
    HARRISON RJ, HANDY NC
    CHEM PHYS LETT, 1986, 4, 321-326.


    AN EFFICIENT PROCEDURE FOR THE CALCULATION OF THE VIBRATIONAL-ENERGY LEVELS OF ANY TRIATOMIC MOLECULE
    CARTER S, HANDY NC
    MOL PHYS, 1986-01, 1, 175-185.



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