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

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

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

ANALYTICAL POTENTIALS FOR TRIATOMIC MOLECULES FROM SPECTROSCOPIC DATA. V: APPLICATION TO HOX (X=F, CL, BR, I)MURRELL JN; CARTER S; MILLS IM et al.1979; MOLEC. PHYS.; GBR; DA. 1979; VOL. 37; NO 4; PP. 1199-1222; BIBL. 54 REF.Article

CORRELATION EFFECTS IN THE GROUND AND IONIC STATES OF MO₂(O₂CH)₄ AND CR₂(O₂CH)₄ATHA PM; HILLIER IH; GUEST MF et al.1982; MOL. PHYS.; ISSN 0026-8976; GBR; DA. 1982; VOL. 46; NO 2; PP. 437-448; BIBL. 18 REF.Article

AN AB INITIO POTENTIAL SURFACE FOR THE REACTION N⁺+H₂->NH⁺+H.GITTINS MA; HIRST DM; GUEST MF et al.1977; FARADAY DISCUSS. CHEM. SOC.; G.B.; DA. 1977; NO 62; PP. 67-168 (41P.); BIBL. DISSEM.; (POTENTIAL ENERGY SURF. GEN. DISCUSS.; BRIGHTON; 1976)Conference Paper

THEORETICAL INVESTIGATION OF THE SYMMETRIC TRISUBSTITUTED BORAZINES.GUEST MF; HILLIER IH; SHENTON IC et al.1975; TETRAHEDRON; G.B.; DA. 1975; VOL. 31; NO 16; PP. 1943-1947; BIBL. 31 REF.Article

ANALYTICAL POTENTIALS FOR TRIATOMIC MOLECULES. VIII: A TWO-VALUED SURFACE FOR THE LOWEST ¹A' STATES OF H₂OMURRELL JN; CARTER S; MILLS IM et al.1981; MOL. PHYS.; ISSN 0026-8976; GBR; DA. 1981; VOL. 42; NO 3; PP. 605-627; BIBL. 21 REF.Article

ELECTRONIC STRUCTURE OF THE TRANSITION-METAL NITRATES TI(NO₃)₄, VO(NO₃)₃, CO(NO₃)₃, AND CU(NO₃)₂. STUDIED BY LOW-ENERGY PHOTOELECTRON SPECTROSCOPY AND AB INITIO MOLECULAR ORBITAL AND SCATTERED WAVE-X₂ CALCULATIONSGARNER CD; HAWKSWORTH RW; HILLIER IH et al.1980; J. AMER. CHEM. SOC.; USA; DA. 1980; VOL. 102; NO 13; PP. 4325-4333; BIBL. 32 REF.Article