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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

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

SYSTEME AUTOMATISE DE CALCUL DE LA STRUCTURE ELECTRONIQUE ET DES PROPRIETES DE MOLECULES COMPLEXES PAR LES METHODES MO LCAO SCF MINDOAKHREM AA; GRUSHETSKIJ KM; SOKOLOV YU A et al.1977; DOKL. AKAD. NAUK B.S.S.R.; S.S.S.R.; DA. 1977; VOL. 21; NO 8; PP. 705-708; BIBL. 9 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

MOLECULAR CONFORMATION OF CYCLENES. VI. MINDO/2' STUDY OF 1,3-CYCLOHEPTADIENE, CIS- AND TRANS-CYCLOOCTENE.FAVINI G; RUBINO C; TODESCHINI R et al.1977; J. MOLEC. STRUCT.; NETHERL.; DA. 1977; VOL. 41; NO 2; PP. 305-313; BIBL. 23 REF.Article

APPLICATION DES METHODES QUANTIQUES SEMI-EMPIRIQUES POUR L'ETUDE DE LA GEOMETRIE DES SYSTEMES MOLECULAIRES. I. CALCUL CNDO/BW ET MINDO/2 DE LA GEOMETRIE D'UNE SERIE D'HYDROCARBURESSHCHERBINA VP.1978; ZH. STRUKT. KHIM.; S.S.S.R.; DA. 1978; VOL. 19; NO 1; PP. 195-197; BIBL. 13 REF.Article

Quantum-chemical description of the catalytic oxidation of benzeneBROCŁAWIK, E; HABER, J; WITKO, M et al.Journal of molecular catalysis. 1984, Vol 26, Num 2, pp 249-258, issn 0304-5102Article

Faster finite-difference calculations of molecular propertiesMULLALLY, D. J; MCIVER, J. W. JR.Journal of computational chemistry. 1983, Vol 4, Num 4, pp 552-555, issn 0192-8651Article

CHANGE OF INTRAMOLECULAR INTERACTIONS ACCOMPANYING METHYL ROTATION IN CYCLOHEXANONE MONOMETHYL DIREVATIVESNOMURA 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. 78-96; BIBL. 13 REF.Article

ETUDE DE L'INFLUENCE RECIPROQUE DES COORDINATS DANS LES COMPLEXES TETRAEDRIQUES ZNCL2L2 PAR LA METHODE DES SPECTRES DE VIBRATIONYURCHENKO EH N; BURGINA EB; KONOVALOV LV et al.1981; Z. STRUKT. HIM.; ISSN 0136-7463; SUN; DA. 1981; VOL. 22; NO 5; PP. 81-88; BIBL. 46 REF.Article

RING EXPANSION REACTION OF CYCLOPROPYLCARBENE TO CYCLOBUTENESCHOEFFER WW.1980; J. ORG. CHEM.; USA; DA. 1980; VOL. 45; NO 11; PP. 2161-2165; BIBL. 21 REF.Article

CALCULS QUANTOCHIMIQUES DES PARAMETRES SPECTROSCOPIQUES ET REACTIVITE DES IONS ARENONIUMABRONIN IA; CHUVYLKIN ND; ZHIDOMIROV GM et al.1980; IZV. SIB. OTD. AKAD. NAUK SSSR, SER. HIM. NAUK; ISSN 0002-3426; SUN; DA. 1980; NO 3; PP. 96-105; ABS. ENG; BIBL. 29 REF.Article

APPLICATION OF SEMI-EMPIRICAL CALCULATIONS OF 13C CHEMICAL SHIFTS AND 1J(CH) COUPLING CONSTANTS TO THE ANALYSIS OF CARBONIUM ION STRUCTURESCHEREMISIN AA; SCHASTNEV PV.1980; ORG. MAGN. RESON.; ISSN 0030-4921; GBR; DA. 1980; VOL. 14; NO 5; PP. 327-336; BIBL. 58 REF.Article

A THEORETICAL APPROACH TO THE POSSIBLE HYDROGEN MIGRATION IN BUTADIENE UNDER ELECTRON IMPACTTAKAGI T; OIWA M.1979; BULL. CHEM. SOC. JAP.; JPN; DA. 1979; VOL. 52; NO 6; PP. 1769-1774; BIBL. 9 REF.Article

BOAT AND CHAIR BENZENES INCORPORATED IN CYCLOPHANESIWAMURA H; KIHARA H; MISUMI S et al.1978; TETRAHEDRON; GBR; DA. 1978; VOL. 34; NO 23; PP. 3427-3434; BIBL. 29 REF.Article

CALCULATION OF THE CARBON-13 NMR CHEMICAL SHIFTS OF SOME ORGANIC COMPOUNDS USING THE IMPROVED VIRTUAL ORBITAL METHODKONDO M; ANDO I.1978; BULL. CHEM. SOC. JAP.; JPN; DA. 1978; VOL. 51; NO 7; PP. 2072-2076; BIBL. 12 REF.Article

ON A POSSIBLE IMPROVEMENT OF LOCALIZED MOLECULAR ORBITALSSAHINI VE; SAVIN A.1980; CHEM. PHYS. LETTERS; NLD; DA. 1980; VOL. 69; NO 3; PP. 514-516; BIBL. 8 REF.Article

THEORETISCHE UNTERSUCHUNGEN ZUM ELEKTROPHILEN ANGRIFF. VIII: DAS PROTONIERTE PYRROL = ETUDE THEORIQUE DE L'ATTAQUE ELECTROPHILE. VIII: PYRROLE PROTONEEILLEK B; GRIMMER M; HEIDRICH D et al.1980; J. PRAKT. CHEM.; DDR; DA. 1980; VOL. 322; NO 1; PP. 147-151; ABS. ENG; BIBL. 27 REF.Article

COMPOSES ORGANOHALOGENOLITHIES INSTABLES. 8. EVALUATION THEORIQUE DE LA RESISTANCE DES LIAISON CARBONE-HALOGENE DANS LES CARBANIONS HALOGENESFAUSTOV VI; D'YACHENKO AI; NEFEDOV OM et al.1979; IZV. AKAD. NAUK SSSR, SER. HIM.; ISSN 0002-3353; SUN; DA. 1979; NO 10; PP. 2187-2190; BIBL. 12 REF.Article

MINDO-FORCES CALCULATION OF MOLECULAR GEOMETRIES AND REACTION PATHS.KHALIL SM; MUTHANA SHANSHAL.1977; THEOR. CHIM. ACTA; ALLEM.; DA. 1977; VOL. 46; NO 1; PP. 23-37; BIBL. 36 REF.Article

UNRESTRICTED HARTREE-FOCK STUDIES ON THE ELECTRONIC STRUCTURES OF THE CARBENES CH2, CHF AND CF2.TAKABE T; TAKAHASHI M; FUKUTOME H et al.1976; PROGR. THEOR. PHYS.; JAP.; DA. 1976; VOL. 56; NO 2; PP. 349-360Article

CALCUL QUANTO-CHIMIQUE DE LA GEOMETRIE DE L'ANION HC(NO2)2-BURSHTEJN K YA; SLOVETSKIJ VI.1976; IZVEST. AKAD. NAUK S.S.S.R., SER. KHIM.; S.S.S.R.; DA. 1976; NO 11; PP. 2454-2456; BIBL. 14 REF.Article

THE CHANGES OF SOME DOUBLE BOND FORCE CONSTANTS DUE TO ROTATIONAL ISOMERISM ON THE EXAMPLE OF 3-AMINOPROPENALKUCHARSKI SA; CZUCHAJOWSKI L.1980; Z. PHYS. CHEM.; ISSN 0323-4479; DDR; DA. 1980; VOL. 261; NO 4; PP. 796-798; BIBL. 7 REF.Article

INTERPRETATION THEORIQUE DE LA REACTION DE DIELS-ALDER DANS LA SERIE DES DIENES FONCTIONNELS DISSYMETRIQUEMENT SUBSTITUES. II: ETUDE DES MECANISMES DE REACTION PAR CALCUL MINDO DES ETATS DE TRANSITIONBLAIN M; ODIOT S; MARTIN GJ et al.1980; TETRAHEDRON; ISSN 0040-4020; GBR; DA. 1980; VOL. 36; NO 18; PP. 2663-2668; ABS. ENG; BIBL. 18 REF.Article

COMPOSES ORGANOHALOGENOLITHIES INSTABLES. 7. CALCULS THERMODYNAMIQUES DU MECANISME DE DECOMPOSITION DES COMPOSES ORGANOHALOGENOLITHIESFAUSTOV VI; D'YACHENKO AI; NEFEDOV OM et al.1979; IZV. AKAD. NAUK SSSR, SER. HIM.; ISSN 0002-3353; SUN; DA. 1979; NO 10; PP. 2183-2186; BIBL. 9 REF.Article

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