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CUSPED-GAUSSIAN MOLECULAR WAVEFUNCTIONS. II. THE MOLECULAR INTEGRALS.STEINER E; WALSH BC.1975; J. CHEM. SOC., FARADAY TRANS., 2; G.B.; DA. 1975; VOL. 71; NO 4; PP. 926-936; BIBL. 6 REF.Article

THE COMPTON PROFILE OF WATER: COMPUTED FROM AN SCF-MO WAVEFUNCTION IN A DOUBLE-ZETA GAUSSIAN BASIS SET.SNYDER LC; WEBER TA.1975; J. CHEM. PHYS.; U.S.A.; DA. 1975; VOL. 63; NO 1; PP. 113-114; BIBL. 12 REF.Article

LOCALIZED ORBITALS IN ETHYL ION AND THE PERTURBATION OF ETHYLENE BY A PROTON. REACTION OF LOCALIZED ORBITALSDIXON DA; LIPSCOMB WN.1973; J. AMER. CHEM. SOC.; U.S.A.; DA. 1973; VOL. 95; NO 9; PP. 2853-2860; BIBL. 22 REF.Serial Issue

CALCULS DE POLARISABILITES ATOMIQUES ET MOLECULAIRES. I. METHODOLOGIE ET APPLICATION A L'ASSOCIATION AR-AR.LALLEMAND P; DAVID DJ; BIGOT B et al.1974; MOLEC. PHYS.; G.B.; DA. 1974; VOL. 27; NO 4; PP. 1029-1043; ABS. ANGL.; BIBL. 17 REF.Article

MAGNETIC PROPERTIES OF NONBENZENOID AROMATIC HYDROCARBONS.YAMAGUCHI H; NAKAJIMA T.1974; BULL. CHEM. SOC. JAP.; JAP.; DA. 1974; VOL. 47; NO 8; PP. 1898-1900; BIBL. 24 REF.Article

ON A DEFINITION OF BOND ENERGIES BASED ON LOCALIZED MOLECULAR ORBITALS.VON NIESSEN W.1975; THEOR. CHIM. ACTA; ALLEM.; DA. 1975; VOL. 38; NO 1; PP. 9-20; BIBL. 21 REF.Article

NON-EMPIRICAL CALCULATIONS OF NUCLEAR SPIN-SPIN COUPLING CONSTANTS.KOWALEWSKI J.1974; CHEM. COMMUNIC.; SWED.; DA. 1974; NO 14; PP. 1-29; BIBL. 4 P.Article

MOLECULAR SCF CALCULATIONS TO MODEL(111) SURFACE STATES AND RELAXATION OF DIAMOND.SNYDER LC; WASSERMAN Z.1978; SURF. SCI.; NETHERL.; DA. 1978; VOL. 71; NO 2; PP. 407-413; BIBL. 17 REF.Article

THE ELECTRONIC STRUCTURE OF METHYL LITHIUM.HINCHLIFFE A; SAUNDERS E.1976; J. MOLEC. STRUCT.; NETHERL.; DA. 1976; VOL. 31; NO 2; PP. 283-289; BIBL. 13 REF.Article

A QUANTUM-MECHANICAL STUDY OF THE LONE-PAIRS IN H2O AND H2S.HINCHLIFFE A; HUGHES PR.1976; J. MOLEC. STRUCT.; NETHERL.; DA. 1976; VOL. 32; NO 1; PP. 79-84; BIBL. 12 REF.Article

PHOTOELECTRON STUDIES OF BORON COMPOUNDS. V. HIGHER BORON HYDRIDES B4H10, B5H9 AND B10H14.LLOYD DR; LYNAUGH N; ROBERTS PJ et al.1975; J. CHEM. SOC., FARADAY TRANS., 2; G.B.; DA. 1975; VOL. 71; NO 7; PP. 1382-1394; BIBL. 26 REF.Article

S.C.F. CALCULATIONS FOR LI2S. II. ANALYSIS OF WAVEFUNCTION.DOBSON JC; HINCHLIFFE A.1975; MOLEC. PHYS.; G.B.; DA. 1975; VOL. 29; NO 5; PP. 1315-1322; BIBL. 6 REF.Article

AB INITIO SCFMO CALCULATIONS ON THE STRUCTURE OF THE SILYLMETHYL ANION AND THE C-H ACIDITY OF METHYLSILANE.DURMAZ S.1975; J. ORGANOMETAL. CHEM.; SWITZ.; DA. 1975; VOL. 96; NO 3; PP. 331-334; BIBL. 11 REF.Article

STROENIE MOLEKUL I KHIMICHESKAYA SVYAZ'. II. KVANTOVOKHIMICHESKIE RASCHETY SOEDINENIJ PERCKHODNYKH EHLEMENTOV. = STRUCTURE DES MOLECULES ET LIAISON CHIMIQUE. II. CALCULS DE CHIMIE QUANTIQUE POUR LES COMPOSES D'ELEMENTS DE TRANSITIONDYATKINA ME; ROZENBERG EL.1974; MOSKVA; VINITI; DA. 1974; PP. 1-138; BIBL. 3 P. 1/2; (ITOGI NAUKI TEKH.)Book

UNCONDITIONAL CONVERGENCE IN SCF THEORY: A GENERAL LEVEL SHIFT TECHNIQUE.CARBO R; HERNANDEZ JA; SANZ F et al.1977; CHEM. PHYS. LETTERS; NETHERL.; DA. 1977; VOL. 47; NO 3; PP. 581-583; BIBL. 10 REF.Article

PERTURBATION OF THE METAL ORBITALS IN COORDINATION COMPOUNDS.STEFANI F.1975; GAZZ. CHIM. ITAL.; ITAL.; DA. 1975; VOL. 105; NO 1-2; PP. 75-84; ABS. ITAL.; BIBL. 12 REF.Article

THEORETICAL CONFORMATIONAL ANALYSIS OF A SIMPLE SULPHILIMINE MODEL.MEZEY P; KUCSMAN A; THEODORAKOPOULOS G et al.1975; THEOR. CHIM. ACTA; ALLEM.; DA. 1975; VOL. 38; NO 2; PP. 115-119; BIBL. 8 REF.Article

VALENCE BOND COMPUTATIONS USING AN ORBITAL BASIS DERIVED FROM SCF-MO'S. ONE ELECTRON PROPERTIES FOR AMMONIA.LUIGI BENDAZZOLI G; PALMIERI P.1975; GAZZ. CHIM. ITAL.; ITAL.; DA. 1975; VOL. 105; NO 5-6; PP. 485-493; ABS. ITAL.; BIBL. 11 REF.Article

A QUANTUM CHEMICAL STUDY ON ELECTROPHILIC ADDITION. I. REACTION OF FLUORINE WITH ETHYLENE.HOPKINSON AC; LIEN MH; YATES K et al.1975; THEOR. CHIM. ACTA; ALLEM.; DA. 1975; VOL. 38; NO 1; PP. 21-35; BIBL. 27 REF.Article

NON-ORTHOGONAL LOCALIZED ORBITALS TO STUDY DELOCALIZATION EFFECTSMAYER I.1982; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1982; VOL. 89; NO 5; PP. 390-394; BIBL. 10 REF.Article

A STUDY OF THE VARIATIONAL CONVERGENCE OF THE F CENTRE ENERGY LEVELS OF LIFTENNYSON J; MURREL JN.1981; MOL. PHYS.; ISSN 0026-8976; GBR; DA. 1981; VOL. 42; NO 2; PP. 297-305; BIBL. 28 REF.Article

SELF-CONSISTENT MOLECULAR ORBITAL METHODS. XVIII. CONSTRAINTS AND STABILITY IN HARTREE-FOCK THEORY.SEEGER R; POPLE JA.1977; J. CHEM. PHYS.; U.S.A.; DA. 1977; VOL. 66; NO 7; PP. 3045-3050; BIBL. 12 REF.Article

CYANOGEN AZIDE: IONISATION POTENTIALS AND AB INITIO SCF MO CALCULATION.BAK B; JANSEN P; STAFAST H et al.1975; CHEM. PHYS. LETTERS; NETHERL.; DA. 1975; VOL. 35; NO 2; PP. 247-250; BIBL. 14 REF.Article

TAUTOMERISM AND ELECTRONIC SPECTRA OF HALOGENOCYTOSINES.LESYNG BL.1975; STUD. BIOPHYS.; ALLEM.; DA. 1975; VOL. 48; NO 2; PP. 131-137; ABS. RUSSE; BIBL. 9 REF.Article

AN AB INITIO STUDY OF ACYLOXY CATIONS.MAIER WF; REETZ MT.1975; J. AMER. CHEM. SOC.; U.S.A.; DA. 1975; VOL. 97; NO 13; PP. 3687-3690; BIBL. 22 REF.Article

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