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ELECTRONIC MOLECULAR STRUCTURE, REACTIVITY AND INTERMOLECULAR FORCES: AN EURISTIC INTERPRETATION BY MEANS OF ELECTROSTATIC MOLECULAR POTENTIALSSCROCCO E; TOMASI J.1978; ADV. QUANTUM CHEM.; USA; DA. 1978; VOL. 11; PP. 115-193; BIBL. 4 P.Article

A THEORETICAL AB INITIO STUDY OF THE REACTION OF FORMATION OF 2-FLUOROETHANOL FROM OXIRANE AND HFALAGONA G; SCROCCO E; TOMASI J et al.1979; THEOR. CHIM. ACTA; DEU; DA. 1979; VOL. 51; NO 1; PP. 11-35; BIBL. 42 REF.Article

ELECTRONIC STRUCTURE OF FRIEDEL CRAFTS CATALYSTS BF3+HFSILLA E; SCROCCO E; TOMASI J et al.1975; THEOR. CHIM. ACTA; ALLEM.; DA. 1975; VOL. 40; NO 4; PP. 343-348; BIBL. 16 REF.Article

THE EFFECT OF SUBSTITUTION ON THE PROPERTIES OF A CHEMICAL GROUP. III: AN ANALYSIS OF THE SCF DESCRIPTION OF CHANGES IN THE C-H GROUP IN MONOSUBSTITUTED ETHYLENES AND ACRYLONITRILESGHIO C; SCROCCO E; TOMASI J et al.1980; THEOR. CHIM. ACTA; DEU; DA. 1980; VOL. 56; NO 1; PP. 75-87; BIBL. 5 REF.Article

THE EFFECT OF SUBSTITUTION ON THE PROPERTIES OF A CHEMICAL GROUP. I: AN ANALYSIS OF THE SCF DESCRIPTION OF CHANGES IN THE CN GROUP IN THE MONOSUBSTITUTED ACRYLONITRILESGHIO C; SCROCCO E; TOMASI J et al.1978; THEOR. CHIM. ACTA; DEU; DA. 1978; VOL. 50; NO 2; PP. 117-134; BIBL. 25 REF.Article

AN APPROXIMATE EXPRESSION OF THE ELECTROSTATIC MOLECULAR POTENTIAL IN TERMS OF COMPLETELY TRANSFERABLE GROUP CONTRIBUTIONS.BONACCORSI R; SCROCCO E; TOMASI J et al.1977; J. AMER. CHEM. SOC.; U.S.A.; DA. 1977; VOL. 99; NO 14; PP. 4546-4554; BIBL. 23 REF.Article

ELECTROSTATIC INTERACTION OF A SOLUTE WITH A CONTINUUM. A DIRECT UTILIZATION OF AB INITIO MOLECULAR POTENTIALS FOR THE PREVISION OF SOLVENT EFFECTSMIERTUS S; SCROCCO E; TOMASI J et al.1981; CHEM. PHYS.; ISSN 0301-0104; NLD; DA. 1981; VOL. 55; NO 1; PP. 117-129; BIBL. 43 REF.Article

THE PROPERTIES OF THE METAL COMPLEX HYDRIDES. AB INITIO CALCULATION OF GEOMETRIC STRUCTURE, ELECTRONIC CHARGE DISTRIBUTION AND BINDING ENERGY OF LIBH4, NABH4, LIALH4, AN NAALH4BONACCORSI R; SCROCCO E; TOMASI J et al.1979; THEOR. CHIM. ACTA; DEU; DA. 1979; VOL. 52; NO 2; PP. 113-127; BIBL. 23 REF.Article

A REPRESENTATION OF THE POLARISATION TERM IN THE INTERACTION ENERGY BETWEEN A MOLECULE AND A POINT-LIKE CHARGE.BONACCORSI R; SCROCCO E; TOMASI J et al.1976; THEOR. CHIM. ACTA; ALLEM.; DA. 1976; VOL. 43; NO 1; PP. 63-73; BIBL. 14 REF.Article

AN AB INITIO STUDY OF THE AMIDIC BOND CLEAVAGE BY OH- IN FORMAMIDEALAGONA G; SCROCCO E; TOMASI J et al.1975; J. AMER. CHEM. SOC.; U.S.A.; DA. 1975; VOL. 97; NO 24; PP. 6976-6983; BIBL. 31 REF.Article

MULTIPOLE EXPANSIONS OF THE ELECTROSTATIC MOLECULAR POTENTIAL.BONACCORSI R; CIMIRAGLIA R; SCROCCO E et al.1974; THEOR. CHIM. ACTA; ALLEM.; DA. 1974; VOL. 32; NO 2; PP. 97-103; BIBL. 19 REF.Article

THE CATALYTIC EFFECT OF BF3 ON THE ELECTROPHILIC HYDROGEN EXCHANGE REACTION IN BENZENE. AN AB INITIO SCF MOLCAO STUDY ON THE SYSTEMS C6H6+HF AND C6H6+HBF4.ALAGONA G; SCROCCO E; SILLA E et al.1977; THEOR. CHIM. ACTA; ALLEM.; DA. 1977; VOL. 45; NO 2; PP. 127-136; BIBL. 8 REF.Article

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