Pascal and Francis Bibliographic Databases

Help

Search results

Your search

kw.\*:("MO METHOD")

Document Type [dt]

A-Z Z-A Frequency ↓ Frequency ↑
Export in CSV

Publication Year[py]

A-Z Z-A Frequency ↓ Frequency ↑
Export in CSV

Discipline (document) [di]

A-Z Z-A Frequency ↓ Frequency ↑
Export in CSV

Language

A-Z Z-A Frequency ↓ Frequency ↑
Export in CSV

Author Country

A-Z Z-A Frequency ↓ Frequency ↑
Export in CSV

Origin

A-Z Z-A Frequency ↓ Frequency ↑
Export in CSV

Results 1 to 25 of 7076

  • Page / 284

Export

Selection :

  • and

APROXIMACIONES NO-EMPIRICAS EN LA TEORIA LCAO-MO: FUNDAMENTOS Y APLICACIONES. = APPROXIMATIONS NON EMPIRIQUES DE LA THEORIE LCAO-MO: FONDEMENTS ET APPLICATIONSCARBO R; ARNAU C.1978; AFINIDAD; ESP.; DA. 1978; VOL. 35; NO 354; PP. 171-179; ABS. ANGL. CATALAN; BIBL. 32 REF.Article

STRUCTURE DU CATION DIAZONIUMKOTOV AV; LEBEDEV VL.1977; ZH. FIZ. KHIM.; S.S.S.R.; DA. 1977; VOL. 51; NO 10; PP. 2492-2494; BIBL. 15 REF.Article

UNIFIED THEORY OF THE THERMODYNAMIC AND KINETIC CRITERIA OF AROMATIC CHARACTER IN THE (4N+2) ANNULENESHADDON RC; FUKUNAGA T.1980; TETRAHEDRON LETTERS; GBR; DA. 1980; VOL. 21; NO 13; PP. 1191-1192; BIBL. 9 REF.Article

ELECTRONIC STRUCTURES OF SOLIDS FROM A SIMPLE VIEWPOINT: SOME STRUCTURES DERIVED FROM THE CESIUM CHLORIDE ARRANGEMENTBURDETT JK; JUNG HUI LIN.1981; ACTA CRYSTALLOGR., B; ISSN 0567-7408; DNK; DA. 1981; VOL. 37; NO 12; PP. 2123-2132; BIBL. 42 REF.Article

AB-INITIO REFINEMENT OF AN ORBITAL-CENTRED FORCE FIELD FOR BIOMOLECULES: TEST CASES INCLUDING PEPTIDES, A SULPHONAMIDE AND MODELLING OF DNA HELICESPLATT E; ROBSON B.1982; J. THEOR. BIOL.; ISSN 0022-5193; GBR; DA. 1982; VOL. 96; NO 3; PP. 381-399; BIBL. 20 REF.Article

DISTRIBUTION INTRAMOLECULAIRE DU TRITIUM, DANS LA PHENYLALANINE-3H OBTENUE PAR ACTION D'ATOMES DE TRITIUM SUR L'ALPHA -PHENYLALANINEFILATOV EH S; ORLOVA MA; SIMONOV EF et al.1980; VESTN. MOSK. UNIV., SER. 2; ISSN 0579-9384; SUN; DA. 1980; VOL. 21; NO 2; PP. 160-162; BIBL. 9 REF.Article

ARYNES, CARBENES, NITRENES, AND RELATED SPECIESKNIGHT DW.1979; ANNU. REP. PROG. CHEM., SECT. B; ISSN 0069-3030; GBR; DA. 1979 PUBL. 1980; VOL. 76; PP. 85-99; BIBL. 84 REF.Article

ETUDE QUANTOCHIMIQUE DE LA REACTION DE DIELS-ALDER. III. GEOMETRIE DU RAPPROCHEMENT DES MOLECULESNAJMUSHIN AI.1977; ZH. OBSHCH. KHIM.; S.S.S.R.; DA. 1977; VOL. 47; NO 4; PP. 870-873; BIBL. 9 REF.Article

ON THE MECHANISMS OF AROMATIC SUBSTITUTION REACTIONS.TAKABE T; TAKENAKA K; YAMAGUCHI K et al.1976; CHEM. PHYS. LETTERS; NETHERL.; DA. 1976; VOL. 44; NO 1; PP. 65-69; BIBL. 22 REF.Article

CNDO/2 CALCULATION OF THE RELATIVE STABILITY OF POLY (GAMMA -HYDROXY-L-PROLINE)OHSAKU M; KAWAMURA T; MURATA H et al.1982; INT. J. BIOL. MACROMOL.; ISSN 0141-8130; GBR; DA. 1982; VOL. 4; NO 1; PP. 37-42; BIBL. 19 REF.Article

A PROGRAM TO CALCULATE NON-BONDED INTERACTION ENERGY IN BIOMOLECULAR AGGREGATESSUNDARAM K; PRASAD CV.1982; COMPUT. PROGRAMS BIOMED.; ISSN 0010-468X; NLD; DA. 1982; VOL. 14; NO 1; PP. 41-46; BIBL. 14 REF.Article

REDUCED LOCAL ENERGY AS A CRITERION FOR THE ACCURACY OF APPROXIMATE H2 WAVE-FUNCTIONS.JAVOR F; THOMAS GF; ROTHSTEIN SM et al.1977; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1977; VOL. 11; NO 1; PP. 59-71; ABS. FR. ALLEM.; BIBL. 13 REF.Article

CALCUL DES DERIVEES PAR RAPPORT AUX PARAMETRES EN FONCTION DES ENERGIES DES ORBITALES MOLECULAIRES ET DES COEFFICIENTS DES ORBITALES ATOMIQUES DANS LES METHODES MO LCAOAKHREM AA; GRUSHETSKIJ KM; SOKOLOV YU A et al.1977; DOKL. AKAD. NAUK S.S.S.R.; S.S.S.R.; DA. 1977; VOL. 232; NO 4; PP. 828-831; BIBL. 6 REF.Article

CALCUL DES DERIVEES D'ORDRE QUELCONQUE, PAR RAPPORT A UN PARAMETRE, DE L'ENERGIE ELECTRONIQUE GLOBALE D'UNE MOLECULE DANS LES METHODES MO LCAOGRUSHETSKIJ KM; SOKOLOV YU A; AKHREM AA et al.1978; VESCI AKAD. NAVUK B.S.S.R., KHIM. NAVUK; SUN; DA. 1978; NO 3; PP. 129-131; ABS. ENG; BIBL. 8 REF.Article

MODEL OF SERINE PROTEASES CHARGE RELAY SYSTEM: PCILO STUDYBANACKY P; LINDER B.1981; BIOPHYS. CHEM.; NLD; DA. 1981; VOL. 13; NO 3; PP. 223-231; BIBL. 27 REF.Article

REACTIVITY OF PHENYL-PROPENOID PRECURSORS OF LIGNINROZMARIN G; DONESCU A.1979; CELLULOSE CHEM. TECHNOL.; ROM; DA. 1979; VOL. 13; NO 6; PP. 747-751; BIBL. 14 REF.Article

CALCUL QUANTOMECANIQUE DE LA VITESSE DE L'ECHANGE ELECTRONIQUE DANS LE SYSTEME MANGANATE-PERMANGANATEGORODYSKIJ AV; DVALI VG; DOGONADZE RR et al.1979; UKR. HIM. Z.; ISSN 0041-6045; UKR; DA. 1979; VOL. 45; NO 10; PP. 915-919; BIBL. 8 REF.Article

NOUVELLE METHODE POUR TENIR COMPTE DE L'ACTIVITE DU NUCLEOPHILE DANS LES CALCULS DE REACTIVITE DES COMPOSES HETERO-AROMATIQUESBUDYKA MF; TERENT'EV PB.1979; KHIM. GETEROCIKL. SOEDIN.; SUN; DA. 1979; NO 3; PP. 403-405; BIBL. 7 REF.Article

QUANTUM CHEMICAL STUDIES ON THE CONFORMATIONAL STRUCTURE OF BACTERIAL PEPTIDOGLYCAN. IV: PCILO CALCULATION ON THE DI-SACCHARIDE PART OF THE GLYCAN MOIETYJANARDAN SINGH YADAV; BARNICKEL G; BRADACZEK H et al.1982; J. THEOR. BIOL.; ISSN 0022-5193; GBR; DA. 1982; VOL. 95; NO 2; PP. 285-303; BIBL. 30 REF.Article

DYNAMICS OF PROTON TRANSFER AND ENZYMATIC ACTIVITYBANACKY P.1981; BIOPHYS. CHEM.; NLD; DA. 1981; VOL. 13; NO 1; PP. 39-47; BIBL. 47 REF.Article

THEORETICAL STUDY OF THE FORMATION OF ACETYLENE FROM TWO CH FRAGMENTSRAIMONDI M; SIMONETTA M; GERRATT J et al.1981; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1981; VOL. 77; NO 1; PP. 12-18; BIBL. 11 REF.Article

LONE PAIR INTERACTIONS IN DIMETHOXYMETHANE AND ANOMERIC EFFECTTVAROSKA I; BLEHA T.1979; CANAD. J. CHEM.; CAN; DA. 1979; VOL. 57; NO 4; PP. 424-435; ABS. FRE; BIBL. 47 REF.Article

A MOLECULAR ORBITAL CALCULATION OF CHEMICALLY INTERACTING SYSTEMS. RECOMBINATION OF TWO METHYL RADICALSYAMABE S; MINATO T; FUJIMOTO H et al.1979; BULL. CHEM. SOC. JAP.; JPN; DA. 1979; VOL. 52; NO 11; PP. 3242-3248; BIBL. 20 REF.Article

A LOCALIZED MOLECULAR ORBITAL CALCULATION OF CHEMICALLY INTERACTING SYSTEMS. INTERACTION BETWEEN AMINES AND CARBONYLS.MINATO T; FUJIMOTO H; FUKUI K et al.1978; BULL. CHEM. SOC. JAP.; JPN; DA. 1978; VOL. 51; NO 6; PP. 1621-1626; BIBL. 22 REF.Article

ETUDE QUANTOCHIMIQUE DU MECANISME DU STADE INITIAL DE LA REACTION D'OXYDATION DU TRIMETHYLBORE PAR L'OXYGENE MOLECULAIREVYSHINSKIJ NN; KOKOREV VN; ABRONIN IA et al.1977; DOKL. AKAD. NAUK S.S.S.R.; S.S.S.R.; DA. 1977; VOL. 236; NO 4; PP. 883-885; BIBL. 5 REF.Article

  • Page / 284