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PARAMETRES POUR LES METHODES SEMI-EMPIRIQUES DE CALCUL DES MOLECULES A L'APPROXIMATION CNDOVOLKOV VB; ZHOGOLEV DA.1979; ZH. STRUKT. KHIM.; SUN; DA. 1979; VOL. 20; NO 4; PP. 693-713; BIBL. 61 REF.Article

STRUCTURE ELECTRONIQUE EN SERIE BENZOTHIAZOLIQUE: SPECTRES PHOTOELECTRONIQUES ET CALCULS C.N.D.O.SALMONA G; FAURE R; VINCENT EJ et al.1975; C.R. ACAD. SCI., C; FR.; DA. 1975; VOL. 280; NO 10; PP. 605-607; ABS. ANGL.; BIBL. 14 REF.Article

CALCULATION OF VALENCE ELECTRON VERTICAL IONIZATION POTENTIALS USING A LIMITED CI APPROACH.LAUER G; SCHULTE KW; SCHWEIG A et al.1975; CHEM. PHYS. LETTERS; NETHERL.; DA. 1975; VOL. 32; NO 1; PP. 163-166; BIBL. 30 REF.Article

CNDO/CI STUDY OF ELECTRONIC SPECTRA OF CYCLOPROPANE, METHYLEN-, DIMETHYLEN- AND TRIMETHYLENCYCLOPROPANE.SIEIRO C; PONCE C.1976; AN. QUIM.; ESP.; DA. 1976; VOL. 72; NO 3; PP. 201-205; ABS. ESP.; BIBL. 17 REF.Article

ENERGY BANDS AND ELECTRONIC DELOCALIZATION IN THE SUGAR-PHOSPHATE BACKBONE OF DNASUHAI S.1974; BIOPOLYMERS; U.S.A.; DA. 1974; VOL. 13; NO 9; PP. 1739-1745; BIBL. 12REF.Article

QUANTUM MECHANICAL STUDY OF INTERACTIONS BETWEEN NUCLEIC ACID BASESDANILOV VI; ZHELTOVSKY NV; KUDRITSKAYA ZG et al.1974; STUD. BIOPHYS.; ALLEM.; DA. 1974; VOL. 43; NO 3; PP. 201-216; ABS. RUSSE; BIBL. 1P.1/2Article

CONFORMATIONAL ANALYSIS OF GLYCOSAMINOGLYCANS. I. CHARGE DISTRIBUTIONS, TORSIONAL POTENTIALS, AND STERIC MAPSROTENZONE R JR; HOPFINGER AJ.1975; CARBOHYD. RES.; NETHERL.; DA. 1975; VOL. 40; NO 2; PP. 323-336; BIBL. 45REFArticle

EXAMEN DU MODELE GROSSIER DE L'HEME PAR LA METHODE CNDO/2GOLOVANOV IB; SOBOLEV VM; VOL'KENSHTEJN MV et al.1974; DOKL. AKAD. NAUK S.S.S.R.; S.S.S.R.; DA. 1974; VOL. 218; NO 2; PP. 478-480; BIBL. 12REF.Article

STRUCTURE ELECTRONIQUE DE DERIVES SULFURES. XVIII. INFLUENCE DE L'ENVIRONMENT SUR LA REACTIVITE NUCLEOPHILE DU GROUPEMENT THIOCARBONYLEGONBEAU D; PFISTER GUILLOUZO G.1976; CANAD. J. CHEM.; CANADA; DA. 1976; VOL. 54; NO 1; PP. 118-125; ABS. ANGL.; BIBL. 14 REF.Article

MOLECULAR ORBITAL STUDIES ON THE CONFORMATION OF PHOSPHOLIPIDS. II. PREFERRED CONFORMATIONS OF HYDROCARBON CHAINS AND MOLECULAR ORGANIZATION IN BIOMEMBRANES.GUPTA SP; GOVIL G; MISHRA RK et al.1975; J. THEOR. BIOL.; U.S.A.; DA. 1975; VOL. 51; NO 1; PP. 13-34; BIBL. 24 REF.Article

TECHNIQUE DE CALCUL PAR LA CHIMIE QUANTIQUE DES ELEMENTS STRUCTURAUX DES VERRES DE SILICATES ALCALINS ET D'ALUMINOSILICATESBARANOVSKIJ VI; IVANOVA EA; BELYUSTIN AA et al.1974; IZVEST. AKAD. NAUK S.S.S.R., NEORG. MATER.; S.S.S.R.; DA. 1974; VOL. 10; NO 11; PP. 2064-2067; BIBL. 16 REF.Article

THE REACTION OF HYPONITRITES WITH DINITROGENTETROXIDE INVESTIGATED BY X-RAY PHOTOELECTRON SPECTROSCOPYSCHULTHEISS H; FLUCK E.1975; J. INORG. NUCL. CHEM.; G.B.; DA. 1975; VOL. 37; NO 10; PP. 2109-2115; BIBL. 17 REF.Article

APPROCHE THEORIQUE DES MECANISMES DE PROTONATION. I. ENAMINESTEYSSEYRE J; ARRIAU J; DARGELOS A et al.1975; J. CHIM. PHYS. PHYS.-CHIM. BIOL.; FR.; DA. 1975; VOL. 72; NO 3; PP. 303-308; ABS. ANGL.; BIBL. 19 REF.Article

AMINO-IMINO TAUTOMERISM IN THE ANTIBIOTIC FORMYCIN A AS STUDIED BY CNDO/2 MOLECULAR ORBITAL THEORYCEASAR GP; GREENE JJ.1974; J. MEDICIN. CHEM.; U.S.A.; DA. 1974; VOL. 17; NO 10; PP. 1122-1124; BIBL. 16 REF.Article

PSEUDOROTATION OF TRIGONAL BIPYRAMIDAL MOLECULES: BERRY ROTATION CONTRA "TURNSTILE" ROTATION IN PF5.RUSSEGER P; BRICKMANN J.1975; CHEM. PHYS. LETTERS; NETHERL.; DA. 1975; VOL. 30; NO 2; PP. 276-278; BIBL. 8 REF.Article

THE IMPORTANCE OF NONBONDED ATTRACTION IN THE STEREOCHEMISTRY OF THE SN2' REACTIONYATES RL; EPIOTIS ND; BERNARDI F et al.1975; J. AMER. CHEM. SOC.; U.S.A.; DA. 1975; VOL. 97; NO 23; PP. 6615-6621; BIBL. 20 REF.Article

REGULARITIES IN CALCULATED DIPOLE MOMENT DERIVATIVES OF FIRST ROW DIATOMIC HYDRIDES.BRUNS RE; PERSON WB.1974; J. CHEM. PHYS.; U.S.A.; DA. 1974; VOL. 61; NO 5; PP. 1779-1781; BIBL. 12 REF.Article

ANALYSE CONFORMATIONNELLE THEORIQUE DU BIAZIRIDYLE.PELISSIER M; LABARRE JF; LEIBOVICI C et al.1974; J. MOLEC. STRUCT.; NETHERL.; DA. 1974; VOL. 20; NO 3; PP. 421-428; ABS. ANGL.; BIBL. 7 REF.Article

BASICITE ET POTENTIEL D'IONISATION DES METHYLPHOSPHINESLEIBOVICI C; GRAFFEUIL M; LABARRE JF et al.1975; J. CHIM. PHYS. PHYS.-CHIM. BIOL.; FR.; DA. 1975; VOL. 72; NO 2; PP. 272; BIBL. 7 REF.Article

STRUCTURE ELECTRONIQUE DE DERIVES SULFURES. X. REACTIVITE NUCLEOPHILE DU GROUPEMENT THIOCARBONYLEGONBEAU D; PFISTER GUILLOUZO G.1975; TETRAHEDRON; G.B.; DA. 1975; VOL. 31; NO 5; PP. 459-464; ABS. ANGL.; BIBL. 24 REF.Article

QUANTUM CHEMICAL STUDIES ON THE CONFORMATIONAL STRUCTURE OF NUCLEIC ACIDS. IV. CALCULATION OF BACKBONE STRUCTURE BY CNDO METHODRAVINDRA TEWARI; NANDA RK; GIRJESH GOVIL et al.1974; J. THEOR. BIOL.; U.S.A.; DA. 1974; VOL. 46; NO 1; PP. 229-239; BIBL. 12REF.Article

APPROCHE THEORIQUE DU PROBLEME DE LA TAUTOMERIE DES TRIADES HX - Y=Z=X=Y - ZH. I. EQUILIBRE AMINE-IMINE (Y=CH, Z=NH)TEYSSEYRE J; ARRIAU J; DARGELO A et al.1976; BULL. SOC. CHIM. BELGES; BELG.; DA. 1976; VOL. 85; NO 1-2; PP. 39-48; ABS. ANGL.; BIBL. 34 REF.Article

SEMIEMPIRICAL ALL-VALENCE-ELECTRON CALCULATIONS ON THE REACTIVITY OF AZULENE AND BENZOFURANSILLA E; BERTRAN J; FERNANDEZ ALONSO JI et al.1975; J. CHEM. SOC., PERKIN TRANS., 2; G.B.; DA. 1975; NO 4; PP. 366-368; BIBL. 13 REF.Article

CNDO CALCULATION OF DIPOLE MOMENT DERIVATIVES AND INFRARED INTENSITIES OF FORMALDEHYDEBRUNS RE; PERSON WB.1973; J. CHEM. PHYS.; U.S.A.; DA. 1973; VOL. 58; NO 6; PP. 2585-2592; BIBL. 18 REF.Serial Issue

TESTS OF THE CNDO METHOD FOR THE BAND STRUCTURE OF CRYSTALLINE SOLIDS. I. CALCULATIONS ON LITHIUM FLUORIDEHAYNS MR.1972; J. PHYS. C; G.B.; DA. 1972; VOL. 5; NO 1; PP. 15-20; BIBL. 30 REF.Serial Issue

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