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Results 1 to 25 of 82

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APPLICATION OF A LEAST-SQUARES METHOD IN CONFIGURATION INTERACTION CALCULATIONS.R NONOEGGEN I.1975; CHEM. PHYS. LETTERS; NETHERL.; DA. 1975; VOL. 31; NO 2; PP. 271-276; BIBL. 14 REF.Article

RESOLVENT TECHNIQUE AND PADE APPROXIMANTS IN CONFIGURATIONS INTERACTION CALCULATIONS.R NONOEGGEN I.1975; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1975; VOL. 9; NO 3; PP. 431-443; ABS. FR. ALLEM.; BIBL. 14 REF.Article

CALCUL AB INITIO DES CONSTANTES DE FORCE DE QUELQUES MOLECULES DIATOMIQUESPEREVOZCHIKOV VI; GRIDOV LA.1975; OPT. I SPEKTROSK.; S.S.S.R.; DA. 1975; VOL. 38; NO 3; PP. 510-512; BIBL. 10 REF.Article

STRUCTURE ELECTRONIQUE DES MACROMOLECULES HOMOATOMIQUES LINEAIRESSTANKEVICH IV; TOMILIN OB.1977; ZH. STRUKT. KHIM.; S.S.S.R.; DA. 1977; VOL. 18; NO 5; PP. 799-803; BIBL. 6 REF.Article

CALCULATION OF MOLECULAR CORRELATION ENERGIES BY THE UNRESTRICTED M NONOLLER-PLESSET THEORY TO SECOND ORDER (UMP2).LARGO CABRERIZO J.1977; AN. QUIM.; ESP.; DA. 1977; VOL. 73; NO 6; PP. 804-812; ABS. ESP.; BIBL. 34 REF.Article

NUMERICAL HARTREE-FOCK-SLATER CALCULATIONS ON DIATOMIC MOLECULESBECKE AD.1982; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1982; VOL. 76; NO 12; PP. 6037-6045; BIBL. 53 REF.Article

ETUDE DE LA RELATION DE POLITZER DANS LES CALCULS A L'APPROXIMATION LCAO-MO. IBOCHVAR DA; BORISOV YU A; CHISTYAKOV AL et al.1982; Z. STRUKT. HIM.; ISSN 0136-7463; SUN; DA. 1982; VOL. 23; NO 1; PP. 3-9; BIBL. 15 REF.Article

DENSITY FUNCTIONAL THEORY AND MOLECULAR BONDING. I. FIRST-ROW DIATOMIC MOLECULES.GUNNARSSON O; HARRIS J; JONES RO et al.1977; J. CHEM. PHYS.; U.S.A.; DA. 1977; VOL. 67; NO 9; PP. 3970-3979; BIBL. 36 REF.Article

THE EMISSION SPECTRUM OF B2BREDOHL H; DUBOIS I; NZOHABONAYO P et al.1982; J. MOL. SPECTROSC.; ISSN 0022-2852; USA; DA. 1982; VOL. 93; NO 2; PP. 281-285; BIBL. 8 REF.Article

USE OF ELECTRON-DENSITY CONTOURS FROM FSGO MODEL WAVEFUNCTIONS: NONBONDED RADIUS OF ATOMS AND MOLECULAR ANISOTROPY OF THE POLARIZABILITY FOR SOME DIATOMIC SYSTEMSRAY NK; SHOBHA BHARGAVA.1979; CHEM. PHYS. LETTERS; NLD; DA. 1979; VOL. 64; NO 3; PP. 585-587; BIBL. 14 REF.Article

MUFFIN-TIN ORBITALS AND THE TOTAL ENERGY OF ATOMIC CLUSTERSGUNNARSSON O; HARRIS J; JONES RO et al.1977; PHYS. REV., B; U.S.A.; DA. 1977; VOL. 15; NO 6; PP. 3027-3038; BIBL. DISSEM.Article

ON FIRST-ROW DIATOMIC MOLECULES AND LOCAL DENSITY MODELSDUNLAP BI; CONNOLLY JWD; SABIN JR et al.1979; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1979; VOL. 71; NO 12; PP. 4993-4999; BIBL. 29 REF.Article

CLOSE RELATIONSHIP BETWEEN ATOMIC AND MOLECULAR PHOTOEMISSION ENERGIESNETHERCOT AM JR.1978; J. CHEM. PHYS.; USA; DA. 1978; VOL. 69; NO 3; PP. 1317-1318; BIBL. 12 REF.Article

B ATOMS, B2 AND H2BO MOLECULES: ESR AND OPTICAL SPECTRA AT 4OK.GRAHAM WRM; WELTNER W JR.1976; J. CHEM. PHYS.; U.S.A.; DA. 1976; VOL. 65; NO 4; PP. 1516-1521; BIBL. 36 REF.Article

MOLECULAR ORBITAL STUDIES OF DISSOCIATIVE CHEMISORPTION OF FIRST PERIOD DIATOMIC MOLECULES AND ETHYLENE ON (100) W AND NI SURFACES.ANDERSON AB; HOFFMANN R.1974; J. CHEM. PHYS.; U.S.A.; DA. 1974; VOL. 61; NO 11; PP. 4545-4559; BIBL. 46 REF.Article

ELECTRON MOMENTUM DISTRIBUTIONS OF THE FIRST-ROW HOMONUCLEAR DIATOMIC MOLECULES, A2RAMIREZ BI.1983; JOURNAL OF PHYSICS B: ATOMIC AND MOLECULAR PHYSICS; ISSN 0022-3700; GBR; DA. 1983; VOL. 16; NO 3; PP. 343-348; BIBL. 9 REF.Article

BONDING IN THE FIRST-ROW DIATOMIC MOLECULES WITHIN THE LOCAL SPIN-DENSITY APPROXIMATIONPAINTER GS; AVERILL FW.1982; PHYSICAL REVIEW. B: CONDENSED MATTER; ISSN 0163-1829; USA; DA. 1982; VOL. 26; NO 4; PP. 1781-1790; BIBL. 35 REF.Article

THE CANONICAL EXCHANGE ENERGY MODULATION PARAMETERS IN MOLECULAR MTXALPHA CALCULATIONS: SOME FIRST ROW HOMONUCLEAR DIATOMIC MOLECULESKONOWALOW DD; MCADON MH; ROSENKRANTZ ME et al.1979; CHEM. PHYS. LETTERS; NLD; DA. 1979; VOL. 65; NO 3; PP. 494-499; BIBL. 38 REF.Article

BONDING CRITERIA FOR DIATOMIC MOLECULAR ORBITALS AND INTERRELATIONS AMONG THEM.TAL Y; KATRIEL J.1977; THEOR. CHIM. ACTA; ALLEM.; DA. 1977; VOL. 46; NO 3; PP. 173-181; BIBL. 19 REF.Article

STUDY OF THE ELECTRONIC STRUCTURE OF MOLECULES. XXII. CORRELATION ENERGY CORRECTIONS AS A FUNCTIONAL OF THE HARTREE-FOCK TYPE DENSITY AND ITS APPLICATION TO THE HOMONUCLEAR DIATOMIC MOLECULES OF THE SECOND ROW ATOMS.LIE GC; CLEMENTI E.1974; J. CHEM. PHYS.; U.S.A.; DA. 1974; VOL. 60; NO 4; PP. 1288-1296; BIBL. 18 REF.Article

DENSITY MATRIX CALCULATIONS FOR MOLECULES AND CLUSTERS. II: FIRST-ROW DIATOMIC MOLECULESGOLLISCH H.1981; J. PHYS. B; ISSN 0022-3700; GBR; DA. 1981; VOL. 14; NO 23; PP. 4451-4467; BIBL. 27 REF.Article

LOCALIZED ATOMIC ORBITALS FOR ATOMS IN MOLECULES. II: DIATOMIC MOLECULESAUFDERHEIDE KH; CHUNG PHILLIPS A.1980; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1980; VOL. 73; NO 4; PP. 1789-1804; BIBL. 17 REF.Article

ESTIMATION OF MOLECULAR CORRELATION ENERGIES FROM SEMI-TRANSFERABLE ORBITAL CORRELATION ENERGIES.ONDER PAMUK H.1978; J. CHEM. SOC., FARADAY TRANS., 2; GBR; DA. 1978; NO 6; PP. 1088-1093; BIBL. 18 REF.Article

THE GROUND ELECTRONIC STATE OF B2.DUPUIS M; LIU B.1978; J. CHEM. PHYS.; U.S.A.; DA. 1978; VOL. 68; NO 6; PP. 2902-2910; BIBL. 16 REF.Article

USE OF A GAUSSIAN BASED MODEL POTENTIAL WITHIN FSGO FORMALISM: EQUILIBRIUM GEOMETRIES OF SOME HOMONUCLEAR DIATOMICS.MEHANDRU SP; RAY NK.1978; INDIAN J. CHEM., A; IND; DA. 1978; VOL. 16; NO 3; PP. 247-249; BIBL. 40 REF.Article

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