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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

SYSTEMATIC APPROACH TO EXTENDED EVEN-TEMPERED ORBITAL BASES FOR ATOMIC AND MOLECULAR CALCULATIONSFELLER DF; RUEDENBERG K.1979; THEOR. CHIM. ACTA; DEU; DA. 1979; VOL. 52; NO 3; PP. 231-251; BIBL. 18 REF.Article

AB INITIO SCF COMPUTATIONS ON BENZENE AND BENZENIUM ION USING A LARGE CONTRACTED GAUSSIAN BASIS SET.ERMLER WC; MULLIKEN RS; CLEMENTI E et al.1976; J. AMER. CHEM. SOC.; U.S.A.; DA. 1976; VOL. 98; NO 2; PP. 388-394; BIBL. 22 REF.Article

ON THE USE OF LOCALIZED ORBITALS FOR DETERMINATION OF CONTRACTED GAUSSIAN BASIS SETS IN AB INITIO MOLECULAR CALCULATIONS.URBAN M; POLAK R.1974; COLLECT. CZECHOSL. CHEM. COMMUNIC.; CZECHOSL.; DA. 1974; VOL. 39; NO 9; PP. 2567-2575; BIBL. 19 REF.Article

ELECTRONIC AND GEOMETRIC STRUCTURE OF SOME EXCITED STATES OF H2O+.ROUSE RA.1976; J. CHEM. PHYS.; U.S.A.; DA. 1976; VOL. 64; NO 3; PP. 1244-1245; BIBL. 6 REF.Article

A CONFIGURATION INTERACTION STUDY OF PHOSPHINE USING BONDED FUNCTIONS.SCOTT JM; SUTCLIFFE BT.1976; THEOR. CHIM. ACTA; ALLEM.; DA. 1976; VOL. 41; NO 2; PP. 141-148; BIBL. 25 REF.Article

A THEORETICAL STUDY OF THE ELECTRONIC STRUCTURE OF FERROCENE AND FERRICINIUM: APPLICATION TO MOESSBAUER ISOMER SHIFTS, IONIZATION POTENTIALS, AND CONFORMATION.BAGUS PS; WALGREN UI; ALMLOF J et al.1976; J. CHEM. PHYS.; U.S.A.; DA. 1976; VOL. 64; NO 6; PP. 2324-2334; BIBL. DISSEM.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

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