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Results 1 to 25 of 238

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ORBITAL CORRELATION EFFECTS. THE INDEPENDENT PAIR-POTENTIAL APPROXIMATION WITH APPLICATION TO THE GROUND STATE AND FIRST IONIZED STATE OF BORON HYBRIDE.MEHLER EL.1974; THEOR. CHIM. ACTA; ALLEM.; DA. 1974; VOL. 35; NO 1; PP. 17-32; BIBL. 35 REF.Article

VARIABLE ZETA CALCULATION FOR SELF-CONSISTENT SCREENING PARAMETERS IN AB INITIO MOLECULAR THEORY.SELSBY RG.1975; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1975; VOL. 9; NO 1; PP. 83-102; ABS. FR. ALLEM.; BIBL. 19 REF.Article

Study of fragmentation of nucleic acids using metastable mapping. BH+ ion originGAUDIN, D; VIRELIZIER, H; JANKOWSKI, K et al.Spectroscopy letters. 1985, Vol 18, Num 4, pp 243-249, issn 0038-7010Article

CALCULS DES VALEURS MOYENNES DE L'IMPULSION DES ELECTRONS DANS LES MOLECULES.ROUX M.1976; C. R. ACAD. SCI., B; FR.; DA. 1976; VOL. 282; NO 8; PP. 173-175; ABS. ANGL.; BIBL. 7 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

DIATOMIC GENERALIZED X-RAY SCATTERING FACTORS: RESULTS FROM HARTREE-FOCK ELECTRON DENSITY FUNCTIONS.BENTLEY J; STEWART RF.1975; J. CHEM. PHYS.; U.S.A.; DA. 1975; VOL. 63; NO 9; PP. 3794-3803; BIBL. 15 REF.Article

CALCUL DES STRUCTURES ELECTRONIQUES DES COMPOSES DES ELEMENTS DES GROUPES II-IV PAR LA METHODE DE ROOTHAAN. II. FONCTIONS D'ONDE, POPULATION ET ENERGIES ORBITALES DE RADICAUX MXBOZHENKO KV.1977; ZH. STRUKT. KHIM.; S.S.S.R.; DA. 1977; VOL. 18; NO 2; PP. 235-244; BIBL. 15 REF.Article

ESTUDIO TEORICO DE CONSTANTES DE FUERZA. III. FUERZAS INTERATOMICAS EN MOLECULAS DIATOMICAS. = ETUDE THEORIQUE DE CONSTANTES DE FORCE. III. FORCES INTERATOMIQUES DANS DES MOLECULES DIATOMIQUESARCE F; CASADO J; RIOS MA et al.1976; AN. QUIM.; ESP.; DA. 1976; VOL. 72; NO 6; PP. 505-508; ABS. ANGL.; BIBL. 13 REF.Article

ESTUDIO TEORICO DE LA NATURALEZA DE CONSTANTES DE FUERZA. I. MOLECULAS DIATOMICAS. = ETUDE THEORIQUE DE LA NATURE DES CONSTANTES DE FORCE. I. MOLECULES DIATOMIQUESARCE F; CASADO J; RIOS M et al.1977; REV. ROUMAINE CHIM.; ROUMAN.; DA. 1977; VOL. 22; NO 3; PP. 335-343; ABS. ANGL.; BIBL. 6 REF.Article

GREEN'S FUNCTION ANALYSIS OF SOME LINEAR ASYMMETRICAL TRIATOMIC MOLECULESNAMASIVAYAM R; SANKARAN V.1979; BULL. SOC. CHIM. BELGES; BEL; DA. 1979; VOL. 88; NO 10; PP. 787-794; BIBL. 30 REF.Article

AB INITIO CALCULATIONS OF INFRARED TRANSITION RATES IN THE GROUND STATES OF BF AND BF+ROSMUS P; WERNER HJ; GRIMM M et al.1982; CHEMICAL PHYSICS LETTERS; ISSN 0009-2614; NLD; DA. 1982; VOL. 92; NO 3; PP. 250-256; BIBL. 31 REF.Article

NEW BASIS SET FOR MOLECULAR CALCULATIONS. II: A CNDO STUDY OF ELECTRIC DIPOLE MOMENTS AND ELECTRONIC VALENCE POPULATION ON AH AND AB SYSTEMS USING THE MODIFIED SLATER ORBITALSCOSTA CABRAL BJ; VIANNA JDM.1980; J. PHYS. B; ISSN 0022-3700; GBR; DA. 1980; VOL. 13; NO 2; PP. 211-216; BIBL. 13 REF.Article

THE CAMERON SYSTEM OF BORON MONOFLUORIDE, BF.LEBRETON J; FERRAN J; MARSIGNY L et al.1975; J. PHYS. B; G.B.; DA. 1975; VOL. 8; NO 17; PP. L465-L466; BIBL. 6 REF.Article

CALCULS, AB INITIO MO-LCAO-SCF, DES ETATS ELECTRONIQUES DES MOLECULES PAR CALCUL DE DIFFERENTIATION DES INTEGRALESNIUKKANEN AV; PEREVOZCHIKOV VI; GRIBOV LA et al.1975; ZH. PRIKL. SPEKTROSK., BELORUS. S.S.R.; S.S.S.R.; DA. 1975; VOL. 22; NO 6; PP. 1082-1085; BIBL. 15 REF.Article

A TECHNIQUE FOR ORBITAL EXPONENT OPTIMIZATION IN AB INITIO HF-SCF-LCAO-MO CALCULATIONS.LOUBRIEL GM; SELSBY RG.1974; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1974; VOL. 8; NO 4; PP. 547-557; ABS. FR. ALLEM.; BIBL. 15 REF.Article

HIGH-RESOLUTION INFRARED MEASUREMENTS OF V1 AND FORCE-FIELD CALCULATIONS FOR THIOBORINE (HBS).SAMS RL; MAKI AG.1975; J. MOLEC. STRUCT.; NETHERL.; DA. 1975; VOL. 26; NO 1; PP. 107-115; BIBL. 12 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

A CASSCF STUDY OF THE POTNETIAL CURVES FOR THE X1SIGMA +, B1SIGMA +, AND A+PI STATES OF THE BH MOLECULEJASZUNSKI M; ROOS BO; WIDMARK PO et al.1981; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1981; VOL. 75; NO 1; PP. 306-314; BIBL. 28 REF.Article

FORCE IN SCF THEORIESNAKATSUJI H; KANDA K; YONEZAWA T et al.1980; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1980; VOL. 75; NO 2; PP. 340-346; BIBL. 28 REF.Article

THE MAGNETIC SUSCEPTIBILITY OF BHCORCORAN CT; HIRSCHFELDER JO.1980; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1980; VOL. 72; NO 3; PP. 1524-1528; BIBL. 21 REF.Article

MOLECULAR ELECTRONIC MOMENTUM DENSITY DISTRIBUTION FUNCTIONS AND CORRELATION HOLES IN P-SPACEDOGGETT G.1979; MOLEC. PHYS.; GBR; DA. 1979; VOL. 38; NO 3; PP. 853-862; BIBL. 12 REF.Article

ELECTRON DENSITY AND LOCALIZABILITY IN BH.DAUDEL R; STEPHENS ME; BURKE LA et al.1977; CHEM. PHYS. LETTERS; NETHERL.; DA. 1977; VOL. 52; NO 3; PP. 426-430; BIBL. 26 REF.Article

MAGNETIC-FIELD-DEPENDENT MOLECULAR SUSCEPTIBILITY.ZAUCER M; AZMAN A.1977; PHYS. REV., A; U.S.A.; DA. 1977; VOL. 16; NO 2; PP. 475-476; BIBL. 7 REF.Article

COMPARISON OF PERTURBATIVELY CORRECTED MRD CI RESULTS WITH A FULL CI TREATMENT OF THE BH GROUND STATEBURTON PG; BUENKER RJ; BRUNA PJ et al.1983; CHEMICAL PHYSICS LETTERS; ISSN 0009-2614; NLD; DA. 1983; VOL. 95; NO 4-5; PP. 379-385; BIBL. 21 REF.Article

INSERTION OF METHYLBORYLENE INTO C-H BONDSVAN DER KERK SM; VAN DER KERK GJM.1980; J. ORGANOMETAL. CHEM.; CHE; DA. 1980; VOL. 190; NO 1; PP. C11-C13; BIBL. 8 REF.Article

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