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AB INITIO CALCULATIONS OF TRANSITION METAL COMPLEXES. VI: CORRELATION EFFECTS IN THE GROUND AND IONIC STATES OF FE(CO)2(NO)2GUEST MF.1980; MOL. PHYS.; ISSN 0026-8976; GBR; DA. 1980; VOL. 41; NO 3; PP. 519-527; BIBL. 18 REF.Article

THE ORBITAL DIAMAGNETIC CONTRIBUTION TO NUCLEAR SPIN-SPIN COUPLING CONSTANTS IN THE FIRST- AND SECOND-ROW HYBRIDES: AN AB INITIO STUDYOVERILL RE; GUEST MF.1983; CHEMICAL PHYSICS LETTERS; ISSN 0009-2614; NLD; DA. 1983; VOL. 98; NO 3; PP. 229-232; BIBL. 26 REF.Article

EFFECT OF BASIS-SET COMPLETENESS ON THE RELATIVE IMPORTANCE OF TRIPLY AND QUADRUPLY EXCITED CONFIGURATIONS IN CORRELATION ENERGY CALCULATIONSWILSON S; GUEST MF.1980; CHEM. PHYS. LETTERS; NLD; DA. 1980; VOL. 73; NO 3; PP. 607-611; BIBL. 29 REF.Article

ELECTRONIC STRUCTURE OF BORON HYDRIDES. AB INITIO STUDY OF B10H14, B10H142- AND B10H122-.GUEST MF; HILLIER IH.1974; J. CHEM. SOC., FARADAY TRANS., 2; G.B.; DA. 1974; VOL. 70; NO 12; PP. 2004-2016; BIBL. 1 P.Article

APPLICATIONS OF THE CRAY-1 FOR QUANTUM CHEMISTRY CALCULATIONSSAUNDERS VR; GUEST MF.1982; COMPUT. PHYS. COMMUN.; ISSN 0010-4655; NLD; DA. 1982; VOL. 26; NO 3/4; PP. 389-395; BIBL. 11 REF.Conference Paper

A FOURTH-ORDER INVARIANT IN MANY-BODY PERTURBATION THEORY. APPLICATION TO FH, OH2, NH3, CH4, N2, CO, HCNWILSON S; GUEST MF.1981; J. PHYS. B; ISSN 0022-3700; GBR; DA. 1981; VOL. 14; NO 11; PP. 1709-1717; BIBL. 41 REF.Article

ON THE STRUCTURE OF THE TESTIARY BUTYL RADICAL: AN AB INITIO INVESTIGATIONOVERILL RE; GUEST MF.1980; MOL. PHYS.; ISSN 0026-8976; GBR; DA. 1980; VOL. 41; NO 1; PP. 119-126; BIBL. 39 REF.Article

EXCITED ELECTRONIC STATES OF H3 AND THEIR ROLE IN THE DISSOCIATIVE RECOMBINATION OF H3+KULANDER KC; GUEST MF.1979; J. PHYS. B; ISSN 0022-3700; GBR; DA. 1979; VOL. 12; NO 16; PP. L501-L504; BIBL. 13 REF.Article

AB INITIO POTENTIAL CURVES FOR THE VALENCE STATES OF THE NH+ ION.GUEST MF; HIRST DM.1977; MOLEC. PHYS.; G.B.; DA. 1977; VOL. 34; NO 6; PP. 1611-1621; BIBL. 20 REF.Article

THE CALCULATION OF VALENCE SHELL IONIZATION POTENTIALS BY THE DELTA SCF METHOD.GUEST MF; SAUNDERS VR.1975; MOLEC. PHYS.; G.B.; DA. 1975; VOL. 29; NO 3; PP. 873-884; BIBL. 1 P.Article

AB INITIO POTENTIAL ENERGY CURVES FOR SHHIRST DM; GUEST MF.1982; MOL. PHYS.; ISSN 0026-8976; GBR; DA. 1982; VOL. 46; NO 2; PP. 427-435; BIBL. 9 REF.Article

LOCALIZATION STUDIES OF BORON HYDRIDES BY THE APSG METHOD.GUEST MF; SAUNDERS VR.1978; MOLEC. PHYS.; G.B.; DA. 1978; VOL. 35; NO 2; PP. 575-586; BIBL. 29 REF.Article

AB INITIO STUDY OF THE GROUND AND EXCITED STATES OF HYDROGEN SULPHIDE USING SCF AND CI CALCULATIONS.GUEST MF; RODWELL WR.1976; MOLEC. PHYS.; G.B.; DA. 1976; VOL. 32; NO 4; PP. 1075-1089; BIBL. 1 P. 1/2Article

POTENTIAL ENERGY CURVES FOR THE GROUND AND EXCITED STATES OF ALH+GUEST MF; HIRST DM.1981; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1981; VOL. 84; NO 1; PP. 167-171; BIBL. 17 REF.Article

EXCITED STATES OF HCL: AN AB INITIO CONFIGURATION INTERACTION INVESTIGATIONHIRST DM; GUEST MF.1980; MOL. PHYS.; ISSN 0026-8976; GBR; DA. 1980; VOL. 41; NO 6; PP. 1483-1491; BIBL. 17 REF.Article

TRIPLE AND QUADRUPLE EXCITATIONS AND THE VALENCE CORRELATION ENERGIES OF SMALL MOLECULESGUEST MF; WILSON S.1980; CHEM. PHYS. LETTERS; NLD; DA. 1980; VOL. 72; NO 1; PP. 49-52; BIBL. 40 REF.Article

AN AB INITIO STUDY OF THE NUCLEAR SPIN-SPIN COUPLING CONSTANTS IN THE SECOND ROW HYDRIDESGUEST MF; OVERILL RE.1980; CHEM. PHYS. LETTERS; NLD; DA. 1980; VOL. 73; NO 3; PP. 612-615; BIBL. 19 REF.Article

ON THE CONTRIBUTION OF TRIPLY-EXCITED AND QUADRUPLY-EXCITED CONFIGURATIONS TO ELECTRON CORRELATION ENERGIES IN CLOSED-SHELL SYSTEMSWILSON S; GUEST MF.1981; MOL. PHYS.; ISSN 0026-8976; GBR; DA. 1981; VOL. 43; NO 6; PP. 1331-1345; BIBL. 55 REF.Article

THE POTENTIAL ENERGY CURVES OF BH+GUEST MF; HIRST DM.1981; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1981; VOL. 80; NO 1; PP. 131-134; BIBL. 12 REF.Article

DOUBLE-BONDED DIVALENT SILICAN: AB-INITIO CALCULATIONS ON THE SPECIES HSIN, HNSI, HCSIH, AND H2CSI.MURRELL JN; KROTO HW; GUEST MF et al.1977; J. CHEM. SOC., CHEM. COMMUNIC.; G.B.; DA. 1977; NO 17; PP. 619-620; BIBL. 10 REF.Article

THE POTENTIAL ENERGY SURFACE FOR THE LOWEST QUARTET STATE OF H3.MURRELL JN; VARANDAS AJC; GUEST MF et al.1976; MOLEC. PHYS.; G.B.; DA. 1976; VOL. 31; NO 4; PP. 1129-1135; BIBL. 20 REF.Article

THE ROLE OF D FUNCTIONS IN THE SI-N BONDBAYBUTT P; GUEST MF; HILLIER IH et al.1973; PROC. R. SOC. LONDON, A; G.B.; DA. 1973; VOL. 333; NO 1593; PP. 225-236; BIBL. 24 REF.Serial Issue

AB INITIO MOLECULAR ORBITAL CALCULATIONS OF TRANSITION METAL COMPLEXES. IV. THE ELECTRONIC STRUCTURE OF MN(CO)5H, MN(CO)5CH3, MN(CO)5CL AND MN(CO)5CNGUEST MF; HALL MB; HILLIER IH et al.1973; MOLEC. PHYS.; G.B.; DA. 1973; VOL. 25; NO 3; PP. 629-640; BIBL. 18 REF.Serial Issue

AN INVESTIGATION OF SELF-CONSISTENT FIELD PERTURBATION THEORY APPLIED TO THE CALCULATION OF NUCLEAR SPIN, SPIN COUPLING CONSTANTS.GUEST MF; SAUNDERS VR; OVERILL RE et al.1978; MOLEC. PHYS.; G.B.; DA. 1978; VOL. 35; NO 2; PP. 427-443; BIBL. 46 REF.Article

CORRELATION EFFECTS AND THE NATURE OF THE METAL-METAL BOND IN DI-CHROMIUM AND DI-MOLYBDENUM COMPLEXES.GUEST MF; HILLIER IH; GARNER CD et al.1977; CHEM. PHYS. LETTERS; NETHERL.; DA. 1977; VOL. 48; NO 3; PP. 587-589; BIBL. 6 REF.Article

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