SOME DEVELOPMENTS IN QUANTUM CHEMISTRYDUKE BJ.1971; ANNU. REP. PROGR. CHEM., A; G.B.; DA. 1971; NO 68; PP. 3-25; BIBL. DISSEM.Serial Issue

A THEORETICAL INVESTIGATION OF NITRAMINE STRUCTURESDUKE BJ.1978; J. MOLEC. STRUCT.; NLD; DA. 1978; VOL. 50; NO 1; PP. 109-114; BIBL. 19 REF.Article

AVOIDING THE USE OF INTEGRAL LISTS IN THE AB INITIO LCAO SCF MO METHOD.DUKE BJ.1974; CHEM. PHYS. LETTERS; NETHERL.; DA. 1974; VOL. 28; NO 3; PP. 437-439; BIBL. 18 REF.Article

THE SIMULATED AB INITIO MOLECULAR ORBITAL (SAMO) METHOD: APPLICATION TO SECOND-ROW ELEMENTSDUKE BJ; O'LEARY B.1980; CHEM. PHYS. LETTERS; NLD; DA. 1980; VOL. 69; NO 3; PP. 517-520; BIBL. 15 REF.Article

A THEORETICAL INVESTIGATION OF THE STRUCTURE OF SOME SMALL NITROGEN-SULFUR MOLECULES.COLLINS MPS; DUKE BJ.1978; J. CHEM. SOC., DALTON TRANS.; G.B.; DA. 1978; NO 4; PP. 277-279; BIBL. 21 REF.Article

THE ROLE OF D-ORBITALS IN PREDICTING ACCURATE GEOMETRIES USING AB INITIO MOLECULAR ORBITAL METHODS.COLLINS MPS; DUKE BJ.1976; CHEM. PHYS. LETTERS; NETHERL.; DA. 1976; VOL. 42; NO 2; PP. 364-366; BIBL. 27 REF.Article

ON THE TRANSFERABILITY OF FOCK MATRIX ELEMENTSDUKE BJ; O'LEARY B.1983; THEORETICA CHIMICA ACTA; ISSN 0040-5744; DEU; DA. 1983; VOL. 62; NO 3; PP. 223-244; BIBL. 34 REF.Article

A COMPARISON OF THE SIMULATED AB INITIO MOLECULAR ORBITAL (SAMO) METHOD WITH THE METHOD OF TRANSFERABILITY OF ATOMIC POTENTIALSDUKE BJ; O'LEARY B.1982; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1982; VOL. 77; NO 5; PP. 2693-2694; BIBL. 7 REF.Article

COMPARISON OF SAMO AND AB INITIO MODEL CALCULATIONS FOR PYRAZINEDUKE BJ; COLLINS MPS.1981; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1981; VOL. 74; NO 8; PP. 4746-4747; BIBL. 14 REF.Article

A COMBINED SAMO-ZDO METHOD FOR THE EVALUATION OF IONIZATION POTENTIALS.DUKE BJ; COLLINS MPS.1978; CHEM. PHYS. LETTERS; NETHERL.; DA. 1978; VOL. 54; NO 2; PP. 304-308; BIBL. 14 REF.Article

AB INITIO MOLECULAR ORBITAL STUDY OF DISULPHUR DINITRIDE, S₂N₂.COLLINS MPS; DUKE BJ.1976; J. CHEM. SOC., CHEM. COMMUNIC.; G.B.; DA. 1976; NO 17; PP. 701-702; BIBL. 10 REF.Article

THE AB INITIO NEGLECT OF DIFFERENTIAL DIATOMIC OVERLAP METHODDUKE BJ; COLLINS MPS.1981; THEOR. CHIM. ACTA; ISSN 0040-5744; DEU; DA. 1981; VOL. 58; NO 3; PP. 233-244; BIBL. 22 REF.Article

UTILIZATION OF TRANSFERABILITY IN MOLECULAR ORBITAL THEORY.O'LEARY B; DUKE BJ; EILERS JE et al.1975; ADV. QUANTUM CHEM.; U.S.A.; DA. 1975; VOL. 9; PP. 1-67; BIBL. 4 P. 1/2Article

THE SIMULATED AB INITIO MOLECULAR ORBITAL METHOD FOR POLYMERS: POLYGLYCINEDUKE BJ; EILERS JE; O'LEARY B et al.1975; CHEM. PHYS. LETTERS; NETHERL.; DA. 1975; VOL. 32; NO 3; PP. 602-606; BIBL. 24 REF.Article

THE SIMULATED AB INITIO MOLECULAR ORBITAL TECHNIQUE. VI. OPEN-SHELL RADICALS IN THE SPIN RESTRICTED FORMALISM.COLLINS MPS; DUKE BJ; EILERS JE et al.1976; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1976; VOL. 10; NO 4; PP. 629-642; BIBL. 37 REF.Article

A RESOLVENT TECHNIQUE FOR THE SIMULATED AB INITIO MOLECULAR ORBITAL (SAMO) METHODLIEBMANN SP; DUKE BJ; COLLINS MPS et al.1979; MOLEC. PHYS.; GBR; DA. 1979; VOL. 37; NO 2; PP. 579-598; BIBL. 16 REF.Article

SIMULATED AB INITIO MOLECULAR ORBITAL TECHNIQUE. IV. CYCLOHEXANES.EILERS JE; O'LEARY B; DUKE BJ et al.1975; J. AMER. CHEM. SOC.; U.S.A.; DA. 1975; VOL. 97; NO 6; PP. 1319-1326; BIBL. 16 REF.Article

SIMULATED AB INITIO MOLECULAR ORBITAL TECHNIQUE. V. POLAR GROUPS, IONIC MOLECULES AND ORTHOGONALISED BASIS SETS.DUKE BJ; PICKERING M; O'LEARY B et al.1975; J. CHEM. SOC., FARADAY TRANS., 2; G.B.; DA. 1975; VOL. 71; NO 8; PP. 1401-1410; BIBL. 22 REF.Article