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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

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

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

EFFECTIVE CONVERGENCE TO COMPLETE ORBITAL BASES AND TO THE ATOMIC HARTREE-FOCK LIMIT THROUGH SYSTEMATIC SEQUENCES OF GAUSSIAN PRIMITIVESSCHMIDT MW; RUEDENBERG K.1979; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1979; VOL. 71; NO 10; PP. 3951-3962; BIBL. 21 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

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

6-311G is not of valence triple-zeta qualityGREV, R. S; SCHAEFER, H. F. III.The Journal of chemical physics. 1989, Vol 91, Num 11, pp 7305-7306, issn 0021-9606Article

The metal-carbonyl bond in Ni(CO)4 and Fe(CO)5: a clear-cut analysisBAUSCHLICHER, C. W. JR; BAGUS, P. S.The Journal of chemical physics. 1984, Vol 81, Num 12, pp 5889-5898, issn 0021-9606, 2Article

General formula evaluation of the electron-repulsion integral (ERI) and its derivatives over Gaussian-type orbitals. II: ERI evaluation improvedISHIDA, K.The Journal of chemical physics. 1993, Vol 98, Num 3, pp 2176-2181, issn 0021-9606Article

An efficient algorithm for electron repulsion integrals over contracted Gaussian-type functionsTEN-NO, S.Chemical physics letters. 1993, Vol 211, Num 2-3, pp 259-264, issn 0009-2614Article

The simulated ab initio molecular orbital (SAMO) method. VII: Extended basis sets for molecules and polymersDUKE, B. J; ÓLEARY, B.The Journal of chemical physics. 1983, Vol 79, Num 7, pp 3424-3433, issn 0021-9606Article

DETERMINATION OF CONTRACTION COEFFICIENTS FOR REPLICATED GAUSSIAN PRIMITIVESGRAF P; MEHLER EL; MCLEAN AD et al.1982; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1982; VOL. 76; NO 3; PP. 1593-1594; BIBL. 5 REF.Article

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