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NONEMPIRICAL ELECTRONEGATIVITY SCALE.SIMONS G; ZANDLER ME; TALATY ER et al.1976; J. AMER. CHEM. SOC.; U.S.A.; DA. 1976; VOL. 98; NO 24; PP. 7869-7870; BIBL. 14 REF.Article

LOCAL ORBITALS FOR BONDING IN ETHANENELSON JL; FROST AA.1973; THEOR. CHIM. ACTA; ALLEM.; DA. 1973; VOL. 29; NO 1; PP. 75-83; ABS. ALLEM. FR.; BIBL. 23 REF.Serial Issue

Charge redistribution and polarization effects on the solvation energy of ionsRAUDINO, A.Chemical physics. 1985, Vol 97, Num 2-3, pp 263-270, issn 0301-0104Article

Extended floating spherical gaussian basis sets for molecules. Generation procedure and results for H2OADAMOWICZ, L; BARTLETT, R. J.Chemical physics letters. 1984, Vol 105, Num 2, pp 167-170, issn 0009-2614Article

Extended floating spherical Gaussian basis sets for molecules: alternative correlating orbitals for molecular energy calculationsADAMOWICZ, L; BARTLETT, R. J.Chemical physics letters. 1984, Vol 110, Num 4, pp 361-364, issn 0009-2614Article

QUANTENMECHANISCHE ABSOLUTBERECHNUNG DER STRUKTUR UND DER INTRAMOLEKULAREN BEWEGLICHKEIT VON GASFOERMIGEM LIBH4 = CALCUL QUANTIQUE AB INITIO DE LA STRUCTURE ET DE LA MOBILITE INTRAMOLECULAIRE DE LIBH4 GAZEUXGRUENDLER W; SCHAEDLER HD.1979; Z. ANORG. ALLG. CHEM.; ISSN 0044-2313; DDR; DA. 1979; VOL. 458; PP. 121-124; ABS. ENG; BIBL. 5 REF.Article

AB INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS. GENERALIZATION AND CHARACTERISTICS OF FLOATING SPHERICAL GAUSSIAN BASIS SETS.MAGGIORA GM; CHRISTOFFERSEN RE.1976; J. AMER. CHEM. SOC.; U.S.A.; DA. 1976; VOL. 98; NO 26; PP. 8325-8332; BIBL. 78 REF.Article

ENERGY GRADIENT FOR LOCAL WAVEFUNCTIONSMUSSO GF.1979; CHEM. PHYS. LETTERS; NLD; DA. 1979; VOL. 67; NO 2-3; PP. 455-458; BIBL. 29 REF.Article

FSGO INVESTIGATION OF SEVERAL CONFORMERS OF CYCLOHEXANE.DAVIS TD; FROST AA.1975; J. AMER. CHEM. SOC.; U.S.A.; DA. 1975; VOL. 97; NO 26; PP. 7410-7411; BIBL. 12 REF.Article

Ab initio molecular fragment calculations with pseudopotentials: model peptide studiesGASPAR, R. JR; GASPAR, R.International journal of quantum chemistry. 1983, Vol 24, Num 6, pp 767-771, issn 0020-7608Article

EXPLICITY CORRELATED CONFIGURATION INTERACTION STUDIES USING SPHERICAL GAUSSIANS. II: EXPLORATORY STUDIES ON LIHKARUNAKARAN KM; CHRISTOFFERSEN RE.1982; INT. J. QUANTUM CHEM.; ISSN 0020-7608; USA; DA. 1982; VOL. 22; NO 1; PP. 11-21; BIBL. 38 REF.Article

AB INITIO MOLECULAR FRAGMENT CALCULATIONS WITH PSEUDOPOTENTIALS: HYDROCARBON CALCULATIONS OF DOUBLE-ZETA QUALITYGASPAR R JR; GASPAR R.1979; INTERNATION. J. QUANTUM CHEM.; USA; DA. 1979; VOL. 15; NO 6; PP. 567-578; ABS. FRE/GER; BIBL. 22 REF.Article

TRANSFERABILITY OF M-H BOND GAUSSIANS: A MODEL POTENTIAL STUDY OF C2H6, SI2H6 AND GE2H6 SYSTEMS.MEHANDRU SP; RAY NK.1978; INDIAN J. CHEM., A; INDIA; DA. 1978; VOL. 16; NO 1; PP. 1-3; BIBL. 34 REF.Article

AB INITIO QUANTUM MECHANICAL CHARACTERIZATION OF THE GROUND ELECTRONIC STATE OF URACIL.O'DONNELL TJ; LEBRETON PR; SHIPMAN LL et al.1978; J. PHYS. CHEM.; U.S.A.; DA. 1978; VOL. 82; NO 3; PP. 343-347; BIBL. 31 REF.Article

CALCULATIONS ON OPEN SHELL SMALL MOLECULES USING DIFFERENT GAUSSIAN ORBITALS FOR ELECTRONS WITH DIFFERENT SPINS.FARMER RG; PEACOCK TE.1977; AUSTRAL. J. CHEM.; AUSTRAL.; DA. 1977; VOL. 30; NO 5; PP. 933-941; BIBL. 35 REF.Article

FSGO CALCULATIONS OF GEOMETRIES AND ELECTRONIC STRUCTURES OF ARGON-CORE THIRD-ROW HYDRIDES.TALATY ER; FEAREY AJ; SIMONS G et al.1976; THEOR. CHIM. ACTA; ALLEM.; DA. 1976; VOL. 41; NO 2; PP. 134-139; BIBL. 24 REF.Article

APPLICATION OF THE FLOATING GAUSSIAN ORBITAL (F.S.G.O.) MODEL TO THE DETERMINATION OF PHOTOELECTRON SPECTRA OF ALKANES.ANDRE JM; LAMBERT GERARD ME; LAMOTTE C et al.1976; BULL. SOC. CHIM. BELGES; BELG.; DA. 1976; VOL. 85; NO 10; PP. 745-753; BIBL. 20 REF.Article

MG-FSGO CALCULATION OF ETHANE GEOMETRY AND ROTATION BARRIERMUSSO G.1981; THEOR. CHIM. ACTA; ISSN 0040-5744; DEU; DA. 1981; VOL. 59; NO 3; PP. 319-320; BIBL. 10 REF.Article

BASIS SET GENERATION FOR THE SCF CALCULATIONADAMOWICZ L.1981; INT. J. QUANTUM CHEM.; ISSN 0020-7608; USA; DA. 1981; VOL. 19; NO 4; PP. 545-551; BIBL. 9 REF.Article

THE NON-CROSSING RULE: TRIPLY DEGENERATE GROUND-STATE GEOMETRIES OF CH4+KATRIEL J; DAVIDSON ER.1980; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1980; VOL. 76; NO 2; PP. 259-262; BIBL. 7 REF.Article

FSGO-PAARPOTENTIAL-BERECHNUNGEN AN HYDRATKOMPLEXEN DER IONEN NA+, MG2+, AL3+ UND F- = CALCULS, A L'AIDE DE POTENTIELS DE PAIRE FSGO, SUR DES HYDRATES COMPLEXES DES IONS NA+, MG2+, AL3+ ET F-FRIEDMANN R; LEUKEFELD W; GRUENDLER W et al.1980; Z. PHYS. CHEM.; ISSN 0323-4479; DDR; DA. 1980; VOL. 261; NO 2; PP. 329-334; ABS. ENG; BIBL. 12 REF.Article

ZUR EXISTENZ VON NH5 = EXISTENCE DE NH5GRUENDLER W; SCHAEDLER HD.1980; Z. CHEM.; DDR; DA. 1980; VOL. 20; NO 3; PP. 111; BIBL. 3 REF.Article

AN FSGO-CO STUDY OF THE LONG-RANGE EFFECTS ON CALCULATED CONFORMATIONAL STABILITY AND ON ONE-ELECTRON LEVELS OF POLYETHYLENEBREDAS JL; ANDRE JM; DELHALLE J et al.1980; CHEM. PHYS.; NLD; DA. 1980; VOL. 45; NO 1; PP. 109-118; BIBL. 30 REF.Article

AN AB INITIO MOLECULAR FRAGMENT INVESTIGATION OF THE ELECTRONIC AND CONFORMATIONAL STRUCTURE OF FORMALDOXIME.HWANG WF; KUSKA HA.1978; J. MOLEC. STRUCT.; NLD; DA. 1978; VOL. 48; NO 2; PP. 239-242; BIBL. 10 REF.Article

THE FLOATING SPHERICAL GAUSSIAN ORBITAL MODEL AND SHAPE OF B2H5 ION.RASTOGI RC; RAY NK.1977; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1977; VOL. 11; NO 3; PP. 435-440; ABS. FR. ALLEM.; BIBL. 17 REF.Article

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