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ETUDE THEORIQUE DES DEPLACEMENTS CHIMIQUES DU CARBONE 13 DE MOLECULES AZOTEES ET OXYGENEES.RAJZMANN M; FRANCOIS P; GUIMON C et al.1975; J. CHIM. PHYS. PHYS.-CHIM. BIOL.; FR.; DA. 1975; VOL. 72; NO 1; PP. 101-104; ABS. ANGL.; BIBL. 18 REF.Article

CALCULATION OF EXCITED SINGLET AND TRIPLET STATE POLARIZABILITIES USING THE CNDO/S CI METHOD. AN APPLICATION TO NAPHTHALENE.MEYER H; SCHULTE KW; SCHWEIG A et al.1975; CHEM. PHYS. LETTERS; NETHERL.; DA. 1975; VOL. 31; NO 1; PP. 187-191; BIBL. 31 REF.Article

THEORETICAL STUDY OF THE ELECTRONIC SPECTRA OF THE TOLUIC ACIDS BY CNDO/S METHOD.SIEIRO C; FERNANDEZ ALONSO JI.1974; AN. QUIM.; ESP.; DA. 1974; VOL. 70; NO 6; PP. 484-488; ABS. ESP.; BIBL. 13 REF.Article

VIBRONIC CALCULATIONS IN BENZENE BY CNDO/S.ZIEGLER L; ALBRECHT AC.1974; J. CHEM. PHYS.; U.S.A.; DA. 1974; VOL. 60; NO 9; PP. 3558-3561; BIBL. 10 REF.Article

CALCULATED SINGLET-TRIPLET TRANSITIONS IN PYRIDINE.JAFFE HH; MASMANIDIS CA; CHANG HM et al.1974; J. CHEM. PHYS.; U.S.A.; DA. 1974; VOL. 60; NO 4; PP. 1696; BIBL. 3 REF.Article

TRIPLET-TRIPLET ABSORPTION OF BENZENE AND SOME METHYLATED DERIVATIVESLECLERCQ J; LECLERCQ JM.1973; CHEM. PHYS. LETTERS; NETHERL.; DA. 1973; VOL. 18; NO 3; PP. 411-413; BIBL. 15 REF.Serial Issue

THE USE OF THE CNDO METHOD IN SPECTROSCOPY. NAPHTHALENE AND THE BREAKDOWN OF THE PAIRING THEOREMS.ELLIS RL; JAFFE HH.1974; J. MOLEC. SPECTROSC.; U.S.A.; DA. 1974; VOL. 50; NO 1-3; PP. 474-482; BIBL. 9 REF.Article

ETUDE DES DEPLACEMENTS CHIMIQUES DES CARBONES EN SERIE ALLENIQUE, PAR REDUCTION DE LA SYMETRIE.SIMON JC; RAJZMANN M.1974; J. CHIM. PHYS. PHYS.-CHIM. BIOL.; FR.; DA. 1974; VOL. 71; NO 11-12; PP. 1429-1432; ABS. ANGL.; BIBL. 16 REF.Article

PHOTOELEKTRONENSPEKTROSKOPISCHE UNTERSUCHUNGEN AN BOR-VERBINDUNGEN. III. PI -ELEKTRONENDELOKALISATION IN 1,3,2-DIAZABOROLINEN. = ETUDES DE COMPOSES DU BORE PAR SPECTROMETRIE PHOTOELECTRONIQUE. III. DELOCALISATION DES ELECTRONS PI DANS LES DIAZABOROLINES-1,3,2KRONER J; NOETH H; NIEDENZU K et al.1974; J. ORGANOMETAL. CHEM.; SWITZ.; DA. 1974; VOL. 71; NO 2; PP. 165-179; ABS. ANGL.; BIBL. 27 REF.Article

CONJUGATED RADICALS. XVI. ELECTRONIC SPECTRA OF ORTHO-SEMIQUINONES AND A REMARK ON THE APPLICABILITY OF THE LCI-CNDO METHOD TO QUINONES AND SEMIQUINONESHOBZA P; CARSKY P; ZAHRADNIK R et al.1973; COLLECT. CZECHOSL. CHEM. COMMUNIC.; CZECHOSL.; DA. 1973; VOL. 38; NO 3; PP. 641-644; BIBL. 9 REF.Serial Issue

Semiempirical quantum chemical calculation on the chlorophyll-water system and determination of excitonic characteristics of a model chloroplastNATH DATTA, S; PRIYADARSHY, S.Chemical physics letters. 1990, Vol 173, Num 4, pp 360-366, issn 0009-2614Article

INVARIANCE DE LA METHODE CNDO/S RELATIVEMENT AU CHOIX DES FONCTIONS DE BASEGINEJTITE VL; BALYAVICHUS MLZ.1979; TEOR. EKSPER. KHIM.; UKR; DA. 1979; VOL. 15; NO 2; PP. 191-192; BIBL. 9 REF.Article

CALCULATION OF SOME 13C NUCLEAR SCREENING CONSTANTS.EBRAHEEM KAK; WEBB GA.1977; ORG. MAGNET. RESON.; G.B.; DA. 1977; VOL. 9; NO 5; PP. 241-247; BIBL. 35 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

STRUCTURE ELECTRONIQUE, SPECTRE ULTRAVIOLET ET SOLVATOCHROMIE DU TETRACYANO-1,1,3,3 AZA-2 PROPENURE DE TETRAMETHYLAMMONIUM.LEIBOVICI C.1974; J. MOLEC. STRUCT.; NETHERL.; DA. 1974; VOL. 20; NO 3; PP. 429-435; ABS. ANGL.; BIBL. 9 REF.Article

LOWER ELECTRONIC STATES OF NITRIC ACID AND ESTERSHARRIS LE.1973; NATURE PHYS. SCI.; G.B.; DA. 1973; VOL. 243; NO 128; PP. 102-103; BIBL. 8 REF.Serial Issue

NATURAL ORBITALS OF S-CIS-BUTADIENE AND THEIR RELATION TO PHOTOCHEMICAL CYCLIZATIONDINUR U; HONIG B.1979; CHEM. PHYS. LETTERS; NLD; DA. 1979; VOL. 64; NO 3; PP. 588-592; BIBL. 11 REF.Article

SOME CALCULATIONS OF THE SOLVENT DEPENDENCES OF PHOSPHORUS NUCLEAR SHIELDINGNALAMPHUN B; WEBB GA.1983; ORGANIC MAGNETIC RESONANCE; ISSN 0030-4921; GBR; DA. 1983; VOL. 21; NO 6; PP. 399-402; BIBL. 20 REF.Article

ELECTRONIC STRUCTURE OF SULPHUR COMPOUNDS. IX. PHOTOELECTRON SPECTRA OF VARIOUS 1,2-DITHIOLE-3-THIONES.GONBEAU D; GUIMON C; DESCHAMPS J et al.1975; J. ELECTRON SPECTROSC. RELAT. PHENOMENA; NETHERL.; DA. 1975; VOL. 6; NO 2; PP. 99-108; BIBL. 8 REF.Article

ON THE ELECTRONIC STRUCTURE OF PHENYL CATION. A CNDO/S TREATMENT.JAFFE HH; KOSER GF.1975; J. ORG. CHEM.; U.S.A.; DA. 1975; VOL. 40; NO 21; PP. 3082-3084; BIBL. 7 REF.Article

THEORETICAL AND EXPERIMENTAL STUDIES ON SPIN-ORBIT COUPLING IN CAFFEINE.LANCELOT G.1975; MOLEC. PHYS.; G.B.; DA. 1975; VOL. 29; NO 4; PP. 1099-1108; BIBL. 27 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 STRUCTURE AND GEOMETRY IN GROUND AND EXCITED ORTHO- ORTHO- AND META-DIFLUOROBENZENESYADAV JS; MISHRA PC; RAI DK et al.1973; CHEM. PHYS. LETTERS; NETHERL.; DA. 1973; VOL. 19; NO 3; PP. 445-447; BIBL. 9 REF.Serial Issue

CALCULATION OF SOME NITROGEN NUCLEAR SCREENING CONSTANTS.EBRAHEEM KAK; WEBB GA.1977; ORG. MAGNET. RESON.; G.B.; DA. 1977; VOL. 9; NO 5; PP. 248-252; BIBL. 37 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

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