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Results 1 to 25 of 170

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HARMONIC FORCE FIELDS FROM MOLECULAR ENERGY CALCULATIONS. TESTS OF A METHOD USING INDO AND MINDO/2 SEMIEMPIRICAL MOLECULAR ENERGIES.NELANDER B; RIBBEGARD G.1974; J. MOLEC. STRUCT.; NETHERL.; DA. 1974; VOL. 20; NO 3; PP. 325-333; BIBL. 35 REF.Article

RING INVERSION IN BENZOCYCLOHEPTENE.FAVINI G; NAVA A.1974; GAZZ. CHIM. ITAL.; ITAL.; DA. 1974; VOL. 104; NO 5-6; PP. 621-624; BIBL. 5 REF.Article

THEORETICAL CALCULATION OF THE CARBON-13 CHEMICAL SHIFTS OF SOME NORMAL ALKANES BY THE LINEAR COMBINATION OF GAUGE INVARIANT ATOMIC ORBITALS-MOLECULAR ORBITAL THEORY USING INDO AND MINDO/2 METHODS.ANDO I; NISHIOKA A; KONDO M et al.1974; BULL. CHEM. SOC. JAP.; JAP.; DA. 1974; VOL. 47; NO 5; PP. 1097-1104; BIBL. 16 REF.Article

THEORETICAL STUDY OF THE (10)-ANNULENES GEOMETRY AND STABILITY.LESKA J; LOOS D.1974; J. MOLEC. STRUCT.; NETHERL.; DA. 1974; VOL. 21; NO 2; PP. 245-252; BIBL. 9 REF.Article

ON THE QUESTION OF A PLANAR TETRAVALENT CARBON CENTRE IN THE ETHYLENE- AND ACETYLENE-BENZENIUM ION - A SEMIEMPIRICAL SCF-LCAO-STUDY.SCHOELLER WW.1974; J. CHEM. SOC., CHEM. COMMUNIC.; G.B.; DA. 1974; NO 21; PP. 872; BIBL. 9 REF.Article

ETUDE THEORIQUE DE LA REACTION D'ADDITION DES ACETALS SUR LES ETHERS VINYLIQUES EN PRESENCE DE CATALYSEURS ACIDESANIKIN NA; YANOVSKAYA LA.1980; IZV. AKAD. NAUK SSSR, SER. HIM.; ISSN 0002-3353; SUN; DA. 1980; NO 3; PP. 503-506; BIBL. 3 REF.Article

SEMI-EMPIRICAL STUDIES OF MOLECULAR VIBRATIONS. II. A STUDY OF THE VIBRATIONS OF THE BENZENE AND PERDEUTEROBENZENE MOLECULES.GLEGHORN JT; HADJIPAVLOU S; MCCONKEY FW et al.1976; J. MOLEC. STRUCT.; NETHERL.; DA. 1976; VOL. 31; NO 1; PP. 187-198; BIBL. 13 REF.Article

THEORETICAL STUDY OF HYDROGEN ATOM MIGRATION MODELS IN CYCLIC CONFORMATION OF 1-PENTENE.LESKA J; LOOS D.1974; J. MOLEC. STRUCT.; NETHERL.; DA. 1974; VOL. 22; NO 1; PP. 109-116; BIBL. 5 REF.Article

DETERMINATION, PAR LA CHIMIE QUANTIQUE, DE LA CONFIGURATION GEOMETRIQUE DES MOLECULES DE NO2NH2, NO2N(CH3)2 ET (NO2)2NCH3BURSHTEJN K YA; FUNDYLER IN.1974; IZVEST. AKAD. NAUK S.S.S.R., SER. KHIM.; S.S.S.R.; DA. 1974; NO 4; PP. 893-894; BIBL. 6 REF.Article

MEAN-SQUARE AMPLITUDES OF VIBRATION AND SHRINKAGE EFFECTS FROM MINDO/2 CALCULATIONS.SCHMIDLING DG.1975; J. MOLEC. STRUCT.; NETHERL.; DA. 1975; VOL. 25; NO 2; PP. 313-317; BIBL. 14 REF.Article

ELECTRONIC STRUCTURE OF CYCLOPROPENONE.SCHAEFER W; SCHWEIG A; MAIER G et al.1974; TETRAHEDRON LETTERS; G.B.; DA. 1974; NO 13; PP. 1213-1216; BIBL. 14 REF.Article

METHODE ZUR BERECHNUNG INDUKTIVER UND KONJUGATIVER EFFEKTE-ANWENDUNG AUF TROPON. = METHODE DE CALCUL DES EFFETS INDUCTEURS ET DE CONJUGAISON. APPLICATION A LA TROPONEMULLER C; SCHWEIG A; VERMEER H et al.1974; ANGEW. CHEM.; DTSCH.; DA. 1974; VOL. 86; NO 7; PP. 275-276; BIBL. 9 REF.Article

ORIGIN OF THE CHARACTERISTIC CO STRETCHING IN CYCLOHEXANONENOMURA O; NOMURA K; TSURUGA H et al.1981; SCI. PAP. INST. PHYS. CHEM. RES.; ISSN 0020-3092; JPN; DA. 1981; VOL. 75; NO 2; PP. 64-77; BIBL. 19 REF.Article

THE CONFIGURATION OF ORGANIC CARBANIONS.MUTHANA SHANSHAL.1976; Z. NATURFORSCH., A; DTSCH.; DA. 1976; VOL. 31; NO 5; PP. 494-497; BIBL. 7 REF.Article

STUDIES OF REACTION MECHANISMS WITH ALL-VALENCE ELECTRON SEMI-EMPIRICAL SCF MO THEORIES. IX. THE ROLE OF TETRACYCLO (4.2.0.02,805,7) OCT-3-ENE ON THE GROUND STATE POTENTIAL ENERGY HYPERSURFACES OF (CH)8 ISOMERS.IWAMURA H; KIHARA H.1975; BULL. CHEM. SOC. JAP.; JAP.; DA. 1975; VOL. 48; NO 2; PP. 512-516; BIBL. 15 REF.Article

PHOTOELEKTRONENSPEKTREN ORGANISCHER VERBINDUNGEN. IX. STERISCH FIXIERTE BICYCLOPROPYLE. = SPECTRE DE PHOTOELECTRONS DE COMPOSES ORGANIQUES. IX. BICYCLOPROPYLS BLOQUES PAR EFFET STERIQUEASMUS P; KLESSINGER M.1975; ANN. (JUSTUS LIEBIGS) CHEM.; DTSCH.; DA. 1975; NO 12; PP. 2169-2178; ABS. ANGL.; BIBL. 35 REF.Article

QUANTENCHEMISCHE UNTERSUCHUNGEN ZUM MECHANISMUS DER ELEKTROPHILEN SUBSTITUTION. I. ZUR POTENTIALHYPERFLAECHE DES SYSTEMS BENZOL/H+. = ETUDE DE MECANIQUE QUANTIQUE SUR LE MECANISME DE LA SUBSTITUTION ELECTROPHILE. I. L'HYPERSURFACE DE POTENTIEL DU SYSTEME BENZENE-H+HEIDRICH D; GRIMMER M.1975; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1975; VOL. 9; NO 5; PP. 923-940; ABS. FR. ALLEM.; BIBL. 1 P. 1/2Article

AN AB INITIO STUDY OF ACYLOXY CATIONS.MAIER WF; REETZ MT.1975; J. AMER. CHEM. SOC.; U.S.A.; DA. 1975; VOL. 97; NO 13; PP. 3687-3690; BIBL. 22 REF.Article

AN INTERPRETATION OF BEHAVIOR OF ETHYLAMINE ION PRODUCED BY ELECTRON-IMPACT.ICHIKAWA H; OGATA M.1975; MASS SPECTROSC.; JAP.; DA. 1975; VOL. 23; NO 4; PP. 299-309; BIBL. 37 REF.Article

PHOTOELECTRON SPECTRA AND SCF MO CALCULATIONS FOR THE DIMERS OF CYCLOBUTADIENE.BODOR N; CHEN BH; WORLEY SD et al.1974; J. ELECTRON SPECTROSC. RELAT. PHENOMENA; NETHERL.; DA. 1974; VOL. 4; NO 1; PP. 65-71; BIBL. 18 REF.Article

BEZIEHUNGEN ZWISCHEN CHEMISCHER VERSCHIEBUNG UND LADUNGSDICHTE. = RELATION ENTRE DEPLACEMENT CHIMIQUE ET DENSITE DE CHARGESTERK H; HOLZER H.1974; ORG. MAGNET. RESON.; G.B.; DA. 1974; VOL. 6; NO 3; PP. 133-143; ABS. ANGL.; BIBL. 13 REF.Article

PHOTOELEKTRONENSPEKTREN ORGANISCHER VERBINDUNGEN. IV. PHOTOELEKTRONENSPEKTREN UNGESAETTIGTER CARBONYLVERBINDUNGEN. = SPECTRES DE PHOTOELECTRONS DE COMPOSES ORGANIQUES. IV. SPECTRES DE PHOTOELECTRONS DES COMPOSES CARBONYLES NON SATURESHENTRICH G; GUNKEL E; KLESSINGER M et al.1974; J. MOLEC. STRUCT.; NETHERL.; DA. 1974; VOL. 21; NO 2; PP. 231-244; ABS. ANGL.; BIBL. 31 REF.Article

BARRIER TO INTERNAL ROTATION IN 1,3-DIMETHYLALLENE.FAVINI G; TODESCHINI R.1977; GAZZ. CHIM. ITAL.; ITAL.; DA. 1977; VOL. 107; NO 3-4; PP. 257-258; BIBL. 4 REF.Article

SOLVENT EFFECT STUDY OF THE 13C CHEMICAL SHIFTS OF ACETONITRILE AND ACETONE USING THE "SOLVATON" MODEL.ANDO I; NISHIOKA A; KONDO M et al.1976; J. MAGNET. RESON.; U.S.A.; DA. 1976; VOL. 21; NO 3; PP. 429-436; BIBL. 29 REF.Article

ENERGY PREDICTIONS FOR ISOMERIC HETEROAROMATIC SYSTEMS: THE EXEMPLAR CASE OF 2-HYDROXYPYRIDINE AND 2-PYRIDONE.TOSATO ML; CIGNITTI M; PAOLINI L et al.1975; GAZZ. CHIM. ITAL.; ITAL.; DA. 1975; VOL. 105; NO 3-4; PP. 385-389; ABS. ITAL.; BIBL. 10 REF.Article

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