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THE CALCULATION OF IONISATION POTENTIALS BY PERTURBATION THEORY COUPLED WITH CONFIGURATION INTERACTION.BACSKAY GB.1977; CHEM. PHYS.; NETHERL.; DA. 1977; VOL. 26; NO 1; PP. 47-57; BIBL. 1 P.Article

A QUADRATICALLY CONVERGENT HARTREE-FOCK (QC-SCF) METHOD. APPLICATION TO OPEN SHELL ORBITAL OPTIMIZATION AND COUPLED PERTURBED HARTREE-FOCK CALCULATIONSBACSKAY GB.1982; CHEM. PHYS.; ISSN 0301-0104; NLD; DA. 1982; VOL. 65; NO 3; PP. 383-396; BIBL. 53 REF.Article

A QUADRATICALLY CONVERGENT HARTREE-FOCK (QC-SCF) METHOD. APPLICATION TO CLOSED SHELL SYSTEMSBACSKAY GB.1981; CHEM. PHYS.; ISSN 0301-0104; NLD; DA. 1981; VOL. 61; NO 3; PP. 385-404; BIBL. 60 REF.Article

THE CALCULATION OF IONIZATION ENERGIES BY PERTURBATION, CONFIGURATION INTERACTION AND APPROXIMATE COUPLED PAIR TECHNIQUES AND COMPARISONS WITH GREEN'S FUNCTION METHODS FOR NE, H2O AND N2BACSKAY GB.1980; CHEM. PHYS.; NLD; DA. 1980; VOL. 48; NO 1; PP. 21-38; BIBL. 62 REF.Article

THEORETICAL STUDY OF THE N2+ MOLECULAR ION.BACSKAY GB; HUSH NS.1976; CHEM. PHYS.; NETHERL.; DA. 1976; VOL. 16; NO 2; PP. 219-227; BIBL. 43 REF.Article

COMPARISON OF THE EFFECTS OF SYMMETRIC VERSUS ASYMMETRIC H BONDING ON 2H AND 17O NUCLEAR QUADRUPOLE COUPLING CONSTANTS; APPLICATION TO FORMIC ACID AND THE HYDROGEN DIFORMATE ANIONGREADY JE; BACSKAY GB; HUSH NS et al.1982; CHEM. PHYS.; ISSN 0301-0104; NLD; DA. 1982; VOL. 64; NO 1; PP. 1-17; BIBL. 33 REF.Article

CALCULATION OF ELECTROSTATIC INTERACTION ENERGIES IN PHYSISORPTION STUDIES OF IONIC SURFACESGREADY JE; BACSKAY GB; HUSH NS et al.1978; J. CHEM. SOC., FARADAY TRANS., 2; GBR; DA. 1978; NO 8; PP. 1430-1440; BIBL. 21 REF.Article

FINITE-FIELD METHOD CALCULATIONS. IV. HIGHER-ORDER MOMENTS, DIPOLE MOMENT GRADIENTS, POLARISABILITY GRADIENTS AND FIELD-INDUCED SHIFTS IN MOLECULAR PROPERTIES: APPLICATION TO N2, CO, CND'ALEMB. , HCN AND HNC.GREADY JE; BACSKAY GB; HUSH NS et al.1978; CHEM. PHYS.; NLD; DA. 1978; VOL. 31; NO 3; PP. 467-483; BIBL. 76 REF.Article

COMPARISON OF MULTIPOLE MOMENT EXPANSIONS BY DIRECT SUMMATION OF FINITE-FIELD SCF METHODS WITH FULL ELECTROSTATIC INTERACTIONS ENERGIES: APPLICATION TO CO AND N2.GREADY JE; BACSKAY GB; HUSH NS et al.1978; CHEM. PHYS.; NLD; DA. 1978; VOL. 31; NO 3; PP. 375-390; BIBL. 47 REF.Article

FINITE-FIELD METHOD CALCULATIONS OF MOLECULAR POLARISABILITIES. I. THEORETICAL BASIS AND LIMITATIONS OF SCP AND GALERKIN TREATMENTS.GREADY JE; BACSKAY GB; HUSH NS et al.1977; CHEM. PHYS.; NETHERL.; DA. 1977; VOL. 22; NO 1; PP. 141-150; BIBL. 23 REF.Article

ON THE ABSOLUTE SIGNS OF THE CH AND CN DIPOLE MOMENT DERIVATIVES OF HCNGREADY JE; BACSKAY GB; HUSH NS et al.1979; J. CHEM. PHYS.; USA; DA. 1979; VOL. 70; NO 2; PP. 1071-1072; BIBL. 8 REF.Article

FINITE-FIELD METHOD CALCULATIONS OF MOLECULAR POLARISABILITUS. II. THEORETICAL ANALYSIS OF THE CORRELATION CORRECTIONS WITH APPLICATION TO SOME PSEUDO-TWO-ELECTRON SYSTEMS.GREADY JE; BACSKAY GB; HUSH NS et al.1977; CHEM. PHYS.; NETHERL.; DA. 1977; VOL. 23; NO 1; PP. 9-22; BIBL. 30 REF.Article

FINITE FIELD METHOD CALCULATIONS. VI: RAMAN SCATTERING ACTIVITIES, INFRARED ABSORPTION INTENSITIES AND HIGHER-ORDER MOMENTS: SCF AND CI CALCULATIONS FOR THE ISOTOPIC DERIVATIVES OF H2O AND SCF CALCULATIONS FOR CH4JOHN IG; BACSKAY GB; HUSH NS et al.1980; CHEM. PHYS.; ISSN 0301-0104; NLD; DA. 1980; VOL. 51; NO 1-2; PP. 49-60; BIBL. 58 REF.Article

FINITE FIELD METHOD CALCULATIONS. V: RAMAN SCATTERING ACTIVITIES AND INFRARED ABSORPTION INTENSITIES FOR H2O, D2O, CH4 AND CD4JOHN IG; BACSKAY GB; HUSH NS et al.1979; CHEM. PHYS.; NLD; DA. 1979; VOL. 38; NO 3; PP. 319-328; BIBL. 63 REF.Article

FINITE-FIELD METHOD CALCULATIONS. III. DIPOLE MOMENT GRADIENTS, POLARISABILITY GRADIENTS AND FIELD-INDUCED SHIFTS IN BOND LENGHTS, VIBRATIONAL LEVELS, SPECTROSCOPIE CONSTANTS AND DIPOLE FUNCTIONS. APPLICATION TO LIH.GREADY JE; BACSKAY GB; HUSH NS et al.1977; CHEM. PHYS.; NETHERL.; DA. 1977; VOL. 24; NO 3; PP. 333-341; BIBL. 24 REF.Article

STRUCTURE AND RELATIVE STABILITIES OF ISOMERS OF C2H2N+: AN AB INITIO MOLECULAR ORBITAL STUDYSWANTON DJ; BACSKAY GB; WILLETT GD et al.1983; JOURNAL OF MOLECULAR STRUCTURE; ISSN 0022-2860; NLD; DA. 1983; VOL. 91; NO 3-4; PP. 313-323; BIBL. 41 REF.Article

UNLINKED CLUSTER EFFECTS IN MOLECULAR ELECTRONIC STRUCTURE. III: POTENTIAL CURVE FOR THE CN- ION AND THE ADIABATIC ELECTRON AFFINITY OF CNTAYLOR PR; BACSKAY GB; HUSH NS et al.1979; J. CHEM. PHYS.; USA; DA. 1979; VOL. 70; NO 10; PP. 4481-4490; BIBL. 37 REF.Article

UNLINKED CLUSTER EFFECTS IN MOLECULAR ELECTRONIC STRUCTURE. I. THE HCN AND HNC MOLECULESTAYLOR PR; BACSKAY GB; HUSH NS et al.1978; J. CHEM. PHYS.; USA; DA. 1978; VOL. 69; NO 5; PP. 1971-1979; BIBL. 34 REF.Article

UNLINKED CLUSTER EFFECTS IN MOLECULAR ELECTRONIC STRUCTURE.II: PAIR CORRELATIONS IN THE MOLECULES HCN AND HNCTAYLOR PR; BACSKAY GB; HUSH NS et al.1978; J. CHEM. PHYS.; USA; DA. 1978; VOL. 69; NO 10; PP. 4669-4677; BIBL. 44 REF.Article

THE COUPLED-PAIR APPROXIMATION IN A BASIS OF INDEPENDENT-PAIR NATURAL ORBITALS.TAYLOR PR; BACSKAY GB; HUSH NS et al.1976; CHEM. PHYS. LETTERS; NETHERL.; DA. 1976; VOL. 41; NO 3; PP. 444-449; BIBL. 10 REF.Article

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