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GRENZORBITALE-IHRE BEDEUTUNG BEI CHEMISCHEN REAKTIONEN (NOBEL-VORTRAG) = ORBITALES FRONTIERES, LEUR IMPORTANCE POUR LES REACTIONS CHIMIQUES (CONFERENCE NOBEL)FUKUI K.1982; ANGEWANDTE CHEMIE; ISSN 0044-8249; DEU; DA. 1982; VOL. 94; NO 11; PP. 852-861; BIBL. 89 REF.Article

GENERAL PROPERTIES OF THE HARTREE-FOCK PROBLEM DEMONSTRATED ON THE FRONTIER ORBITAL MODEL. I. RELATION AMONG VARIOUS TYPES OF EXTREMA.BONACIC KOUTECKY V; KOUTECKY J.1975; THEOR. CHIM. ACTA; ALLEM.; DA. 1975; VOL. 36; NO 3; PP. 149-161; BIBL. 30 REF.Article

THE PRESSURE-INDUCED BLACK PHOSPHORUS TO A7 (ARSENIC) PHASE TRANSFORMATION: AN ANALYSIS USING THE CONCEPT OF ORBITAL SYMMETRY CONSERVATIONBURDETT JK; LEE S.1982; JOURNAL OF SOLID STATE CHEMISTRY; ISSN 0022-4596; GBR; DA. 1982; VOL. 44; NO 3; PP. 415-424; BIBL. 8 REF.Article

GENERAL PROPERTIES IN THE HARTREE-FOCK PROBLEM DEMONSTRATED THE FONCTION ORBITAL MODEL. II. ANALYSIS OF THE CUSTOMARY ITERATIVE PROCEDURE.BONACIC KOUTECKY V; KOUTECKY J.1975; THEOR. CHIM. ACTA; ALLEM.; DA. 1975; VOL. 36; NO 3; PP. 163-180; BIBL. 8 REF.Article

HOW SOME SIMPLE SOLIDS HOLD TOGETHER. THE USE OF THE FRAGMENT FORMALISM IN CRYSTAL CHEMISTRYBURDETT JK.1980; J. AMER. CHEM. SOC.; USA; DA. 1980; VOL. 102; NO 2; PP. 450-460; BIBL. 46 REF.Article

DIRECTIONAL PREFERENCES OF NONBONDED ATOMIC CONTACTS WITH DIVALENT SULFUR. I. ELECTROPHILES AND NUCLEOPHILES.ROSENFIELD RE JR; PARTHASARATHY R; DUNITZ JD et al.1977; J. AMER. CHEM. SOC.; U.S.A.; DA. 1977; VOL. 99; NO 14; PP. 4860-4862; BIBL. 13 REF.Article

PERIODICITE SECONDAIRE DE LA STABILITE DES LIAISONS HYDROGENEPUGORELYJ VK; YARMOLINSKIJ AA.1979; TEOR. EKSPER. KHIM.; UKR; DA. 1979; VOL. 15; NO 1; PP. 85-88; BIBL. 11 REF.Article

CAN THE HIGHEST OCCUPIED MOLECULAR ORBITAL OF THE URANYL ION BE ESSENTIALLY 5F.JOERGENSEN CK.1982; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1982; VOL. 89; NO 6; PP. 455-458; BIBL. 30 REF.Article

PROTON AFFINITY, IONIZATION ENERGY, AND THE NATURE OF FRONTIER ORBITAL ELECTRON DENSITYDEKOCK RL; BARBA CHYN MR.1979; J. AMER. CHEM. SOC.; USA; DA. 1979; VOL. 101; NO 22; PP. 6516-6519; BIBL. 24 REF.Article

A LINK BETWEEN THE SECOND-ORDER JAHN-TELLER EFFECT AND THE HIGHEST OCCUPIED MOLECULAR ORBITAL POSTULATE FOR MOLECULAR SHAPES.BAMZAI AS; DEB BM.1978; PRAMANA; IND; DA. 1978; VOL. 11; NO 2; PP. 191-194; BIBL. 16 REF.Article

GAMMA -BOND CONJUGATION IN POLYSILANES, A PES SCALED FREE-ELECTRON APPROACH FOR THE INTERPRETATION OF SKELETAL CLEAVAGE REACTIONSHERMAN A; DRECZEWSKI B; WOJNOWSKI W et al.1983; JOURNAL OF ORGANOMETALLIC CHEMISTRY; ISSN 0022-328X; CHE; DA. 1983; VOL. 251; NO 1; PP. 7-14; BIBL. 19 REF.Article

A COUPLED FRAGMENT MOLECULAR ORBITAL METHOD FOR INTERACTING SYSTEMSFUJIMOTO H; KOGA N; FUKUI K et al.1981; J. AM. CHEM. SOC.; ISSN 0002-7863; USA; DA. 1981; VOL. 103; NO 25; PP. 7452-7457; BIBL. 49 REF.Article

EXCIPLEX QUENCHING. A FRONTIER MOLECULAR ORBITAL RATIONALE.CREED D; CALDWELL RA; OHTA H et al.1977; J. AMER. CHEM. SOC.; U.S.A.; DA. 1977; VOL. 99; NO 1; PP. 277-278; BIBL. 9 REF.Article

On the mechanism of metal-catalyzed epoxidation: a model for the bonding in peroxo-metal complexesBACH, R. D; WOLBER, G. J; CODDENS, B. A et al.Journal of the American Chemical Society. 1984, Vol 106, Num 20, pp 6098-6099, issn 0002-7863Article

The second-order Jahn-Teller effectPEARSON, R. G.Journal of molecular structure. 1983, Vol 103, pp 25-34, issn 0022-2860, specArticle

INFLUENCE OF A FREE RADICAL SUBSTITUENT ON REACTIVITY (REVERSE EFFECT). RESULTS INVOLVING BENZYLIC SYSTEMSBALLESTER M; VECIANA J; RIERA J et al.1982; TETRAHEDRON LETT.; ISSN 0040-4039; GBR; DA. 1982; VOL. 23; NO 48; PP. 5075-5078; BIBL. 5 REF.Article

NOTE ON A TOPOLOGICAL PROPERTY OF THE HOMO-LUMO SEPARATIONGUTMAN I.1980; Z. NATURFORSCH., A; ISSN 0340-4811; DEU; DA. 1980; VOL. 35; NO 4; PP. 458-460; BIBL. 9 REF.Article

THE STOICHIOMETRIES OF HIGH-NUCLEARITY TRANSITION METAL CARBONYL CLUSTER COMPOUNDS. I: COMPACT CLOSE-PACKED CLUSTERSCIANI G; SIRONI A.1980; J. ORGANOMET. CHEM.; ISSN 0022-328X; CHE; DA. 1980; VOL. 197; NO 2; PP. 233-248; BIBL. 29 REF.Article

CONFORMATIONS AND ELECTRONIC STRUCTURES OF OXIDIZED AND REDUCED ISOALLOXAZINEDIXON DA; LINDNER DL; BRANCHAUD B et al.1979; BIOCHEMISTRY; USA; DA. 1979; VOL. 18; NO 26; PP. 5770-5775; BIBL. 53 REF.Article

BASICITE DES NOYAUX HETEROCYCLIQUES ET COEFFICIENTS DES ORBITALES MOLECULAIRES FRONTIERES DES COLORANTS CYANINIQUES SYMETRIQUESDYADYUSHA GG; KACHKOVSKIJ AD.1978; UKRAIN. KHIM. ZH.; UKR; DA. 1978; VOL. 44; NO 9; PP. 948-953; BIBL. 12 REF.Article

ETUDE DE L'INFLUENCE RECIPROQUE DES COORDINATS DANS LES HALOGENURES DE SOUFRE PAR LA METHODE CNDOREPYAKH IV; VOLKOV VB; ZHOGOLEV DA et al.1977; KOORDIN. KHIM.; S.S.S.R.; DA. 1977; VOL. 3; NO 12; PP. 1786-1791; BIBL. 16 REF.Article

GEOMETRIE DES MOLECULES. CORRELATION ENTRE LE CARACTERE NODAL ET L'ORBITALE MOLECULAIRE ET LA LONGUEUR DE LA LIAISON DANS LES MOLECULES ABN DES ELEMENTS AUTRES QUE DE TRANSITIONKLYAGINA AP.1977; KOORDIN. KHIM.; S.S.S.R.; DA. 1977; VOL. 3; NO 7; PP. 955-961; BIBL. 55 REF.Article

A MODIFICATION OD THE HUECKEL RULE. EFFECTIVE DISCONTINUITY OF CYCLIC CONJUGATION.INAGAKI S; HIRABAYASHI Y.1977; J. AMER. CHEM. SOC.; U.S.A.; DA. 1977; VOL. 99; NO 23; PP. 7418-7423; BIBL. 45 REF.Article

MO CALCULATIONS ON METAL CARBENE COMPLEXES AND METAL ACYL COMPLEXES. THE IMPORTANCE OF THE LUMO IN DETERMINING THE SITE OF NUCLEOPHILIC ATTACK.BLOCK TE; FENSKE RF; CASEY CP et al.1976; J. AMER. CHEM. SOC.; U.S.A.; DA. 1976; VOL. 98; NO 2; PP. 441-443; BIBL. 19 REF.Article

ON THE ELECTRONIC STRUCTURE OF PLANAR FLUORINATED AMINES AND PHOSPHINESMARYNICK DS; ROSEN DC; LIEBMAN JF et al.1983; JOURNAL OF MOLECULAR STRUCTURE; ISSN 0022-2860; NLD; DA. 1983; VOL. 94; NO 1-2; PP. 47-50; BIBL. 9 REF.Article

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