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THE FROST MODEL AND PERTURBATION THEORY.AMOS AT; YOFFE JA.1975; CHEM. PHYS. LETTERS; NETHERL.; DA. 1975; VOL. 31; NO 1; PP. 57-60; BIBL. 14 REF.Article

DERIVATION OF A TOTAL CHARGE AND DIPOLE MOMENT-PRESERVING POPULATION ANALYSIS FOR FSGO WAVEFUNCTIONS.SHIPMAN LL.1975; CHEM. PHYS. LETTERS; NETHERL.; DA. 1975; VOL. 31; NO 2; PP. 361-363; BIBL. 8 REF.Article

DESCRIPTION DES ORBITALES SIGMA ET PI DE LA MOLECULE D'ETHYLENE PAR UNE BASE REDUITE DE FONCTIONS GAUSSIENNES SPHERIQUESTROPIS M; DURAND P.1973; C.R. ACAD. SCI., C; FR.; DA. 1973; VOL. 276; NO 26; PP. 1775-1778; BIBL. 18 REF.Serial Issue

COMPARATIVE STUDY OF UNCONVENTIONAL 1S BASIS FUNCTIONS FOR THE 1SIGMA +G GROUND STATE OF H2 AND HE2++.LECLERC JC.1976; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1976; VOL. 10; NO 3; PP. 439-454; ABS. FR. ALLEM.; BIBL. 1 P. 1/2Article

CLASSICAL AND NONCLASSICAL STRUCTURES OF THE VINYL CATION. AN ACCURATE COMPUTATIONAL DETERMINATION OF THEIR RELATIVE STABILITIES AND OPTIMUM REARRANGEMENT PATH.WEBER J; MCLEAN AD.1976; J. AMER. CHEM. SOC.; U.S.A.; DA. 1976; VOL. 98; NO 3; PP. 875-876; BIBL. 9 REF.Article

THE ELECTRONIC STRUCTURE OF AMINODIBORANE.ARMSTRONG DR.1976; INORG. CHIM. ACTA; ITAL.; DA. 1976; VOL. 18; NO 2; PP. 145-146; BIBL. 3 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

THE EFFECT OF HYDROGEN BONDING ON STRUCTURAL PARAMETERS. IV. AN AB INITIO STUDY OF FORMAMIDE-AMMONIA COMPLEXES.OTTERSEN T; JENSEN HH; JOHANSEN R et al.1976; J. MOLEC. STRUCT.; NETHERL.; DA. 1976; VOL. 30; NO 2; PP. 379-387; BIBL. 8 REF.Article

AB-INITIO SCF CALCULATIONS BY A GENERALIZED COUPLING OPERATOR METHOD.ISHIKAWA Y.1976; CHEM. PHYS. LETTERS; NETHERL.; DA. 1976; VOL. 37; NO 3; PP. 597-601; BIBL. 22 REF.Article

GEOMETRY OPTIMIZATIONS WITH A SMALL CONTRACTED GAUSSIAN BASIS SET.POPPINGER D.1976; CHEM. PHYS.; NETHERL.; DA. 1976; VOL. 12; NO 1; PP. 131-137; BIBL. 17 REF.Article

THE ZERO-FIELD SPLITTING IN THE B3SIGMA G- STATE OF C2.LANGHOFF SR.1976; J. CHEM. PHYS.; U.S.A.; DA. 1976; VOL. 64; NO 3; PP. 1245-1246; BIBL. 15 REF.Article

BARRIER TO INTERNAL ROTATION AND PI -BONDING IN DIBORANE PEROXIDE, BH2O2BH2; STUDIED BY AB INITIO CALCULATIONS.GROPEN O; JENSEN HH.1976; J. MOLEC. STRUCT.; NETHERL.; DA. 1976; VOL. 32; NO 1; PP. 85-91; BIBL. 15 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

VARIATION PERTURBATION TREATMENT OF THE HYDROGEN BOND BETWEEN WATER MOLECULES.JEZIORSKI B; VAN HEMERT M.1976; MOLEC. PHYS.; G.B.; DA. 1976; VOL. 31; NO 3; PP. 713-729; BIBL. 42 REF.Article

CALCULATION OF THE 1J(PP) ANGULAR DEPENDENCE IN P2H4.ALBRAND JP; FAUCHER H; GAGNAIRE D et al.1976; CHEM. PHYS. LETTERS; NETHERL.; DA. 1976; VOL. 38; NO 3; PP. 521-523; BIBL. 20 REF.Article

POLYATOMIC SCATTERING INTEGRALS WITH GAUSSIAN ORBITALS.OSTLUND NS.1975; CHEM. PHYS. LETTERS; NETHERL.; DA. 1975; VOL. 34; NO 3; PP. 419-422; BIBL. 9 REF.Article

MOLECULAR INTEGRALS OF GTO'S WITH SPHERICAL HARMONICS.O OHATA K.1974; MEM. FAC. SCI., KYUSHU UNIV., B; JAP.; DA. 1974; VOL. 5; NO 1; PP. 7-18; BIBL. 12 REF.Article

SPHERICAL GAUSSIAN BASIS SETS IN RELATIVISTIC QUANTUM CHEMISTRYMALLI G.1979; CHEM. PHYS. LETTERS; NLD; DA. 1979; VOL. 68; NO 2-3; PP. 529-531; BIBL. 7 REF.Article

ELECTRONIC STRUCTURES OF DICARBONYLS. GLYOXAL EXCITED STATES.DYKSTRA CE; SCHAEFER HF III.1976; J. AMER. CHEM. SOC.; U.S.A.; DA. 1976; VOL. 98; NO 2; PP. 401-406; BIBL. 40 REF.Article

THEORETICAL ANALYSIS OF THE ELECTRONIC STRUCTURE AND MOLECULAR PROPERTIES OF THIOBORINE, HBS AND COMPARISON WITH RELATED COMPOUNDS. AN AB INITIO MO-CALCULATION.GROPEN O; WISLOFF NILSSEN E.1976; J. MOLEC. STRUCT.; NETHERL.; DA. 1976; VOL. 32; NO 1; PP. 21-27; BIBL. 14 REF.Article

AN EXPERIMENTAL AND THEORETICAL STUDY OF THE AUGER SPECTRUM OF NITROUS OXIDE.CONNOR JA; HILLIER IH; KENDRICK J et al.1976; J. CHEM. PHYS.; U.S.A.; DA. 1976; VOL. 64; NO 8; PP. 3325-3329; BIBL. 13 REF.Article

APPLICATIONS OF A SIMPLE MOLECULAR WAVEFUNCTION. VIII. FSGO CALCULATIONS ON C2 HYDROCARBON RADICALS AND CATIONS.BLUSTIN PH; LINNETT JW.1975; J. CHEM. SOC., FARADAY TRANS., 2; G.B.; DA. 1975; VOL. 71; NO 5; PP. 1071-1081; BIBL. 19 REF.Article

ON THE BONDING AND ELECTRONIC STRUCTURE OF BORON-OXYGEN COMPLEXES. AB INITIO MO-CALCULATIONS ON BH3OH2, (BH2OH)2 AND RELATED COMPOUNDS.FLOOD E; GROPEN O.1976; J. ORGANOMETAL. CHEM.; SWITZ.; DA. 1976; VOL. 110; NO 1; PP. 7-14; BIBL. 15 REF.Article

THE EFFECT OF HYDROGEN BONDING ON STRUCTURAL PARAMETERS. VI. THE ANGULAR DEPENDENCE OF THE HYDROGEN BOND STRENGHT. AN AB INITIO STUDY OF THE FORMAMIDE-WATER AND THE FORMAMIDE-METHANE COMPLEXES.OTTERSON T; SAEBO S; TALBERG HJ et al.1976; ADV. MOLEC. RELAX. PROCESSES; NETHERL.; DA. 1976; VOL. 8; NO 1; PP. 43-48; BIBL. 10 REF.Article

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