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Calcul des chaleurs de formation et de la configuration géométrique optimale des molécules H2O3 et H2O4 par la méthode MINDO/3KHADZHI-OGLY, M. R; GLORIOZOV, I. P; YAGODOVSKAYA, T. V et al.Žurnal fizičeskoj himii. 1983, Vol 57, Num 8, pp 1910-1913, issn 0044-4537Article

A MINDO/3 study on the monoelectronic reduction of carbon monoxide. The acetylenediolate dianion as the first member and as the common precursor of all the cyclic oxocarbon dianionsOLIVELLA, S; PERICAS, M. A; SERRATOSA, F et al.Journal of molecular structure. 1983, Vol 105, Num 1-2, pp 91-97, issn 0022-2860Article

ISOMERIZATION MECHANISMS FROM CIS TO TRANS FORM IN POLYACETYLENEYAMABE T; AKAGI K; OHZEKI K et al.1982; MOL. CRYST. LIQ. CRYST.; ISSN 0026-8941; GBR; DA. 1982; VOL. 86; NO 1-4; PP. 1957Conference Paper

MINDO/3 STUDY OF THE PROTONATION OF PHENOL AND METHYL-PHENOLSECKERT MAKSIC M.1982; Z. NATURFORSCH., A; ISSN 0340-4811; DEU; DA. 1982; VOL. 37; NO 7; PP. 688-696; BIBL. 24 REF.Article

CALCUL PAR LA METHODE MINDO/3 DE L'ETAT DE TRANSITION DE L'ELIMINATION MONOMOLECULAIRE DE HNO2 DU NITROETHANEFAUSTOV VI; SHEVELEV SA; ANIKIN NA et al.1979; IZV. AKAD. NAUK SSSR, SER. HIM.; ISSN 0002-3353; SUN; DA. 1979; NO 12; PP. 2800-2803; BIBL. 16 REF.Article

CALCUL PAR LA METHODE MINDO/3 DES ETATS DE TRANSITION DE L'ELIMINATION MOLECULAIRE DE L'ETHYLENE DE C2H5OH ET C2H5SHFAUSTOV VI; YUFIT SS.1979; IZV. AKAD. NAUK SSSR, SER. HIM.; ISSN 0002-3353; SUN; DA. 1979; NO 12; PP. 2797-2800; BIBL. 10 REF.Article

ON THE SYNCHRONOUS 1,4-ADDITION OF METHYLENE TO CIS-BUTADIENESCHOELLER WW; YURTSEVER E.1978; J. AMER. CHEM. SOC.; USA; DA. 1978; VOL. 100; NO 24; PP. 7548-7550; BIBL. 27 REF.Article

Modelling propagation in cationic polymerizationBOLKE, M; HALLPAP, P; HEUBLEIN, G et al.European polymer journal. 1985, Vol 21, Num 2, pp 117-121, issn 0014-3057Article

COMPARAISON DES STRUCTURES DES ETATS DE TRANSITION DE L'ISOMERISATION ACETALDEHYDE-ALCOOL VINYLIQUE, CALCULEES PAR LES METHODES QUANTOCHIMIQUES SCF LCAO MOFAUSTOV VI; IOFIT SS.1982; Z. FIZ. HIM.; ISSN 0044-4537; SUN; DA. 1982; VOL. 56; NO 9; PP. 2226-2230; BIBL. 13 REF.Article

IMPORTANT ROLE OF THE SIGMA -PI CONCERTED ELECTRON REORGANIZATION IN THE RING-OPENING REACTION OF HETEROCYCLIC COMPOUNDSKIKUCHI O.1980; TETRAHEDRON LETTERS; GBR; DA. 1980; VOL. 21; NO 11; PP. 1055-1058; BIBL. 6 REF.Article

A THEORETICAL COMPARISON OF CATIONIC AND ANIONIC HOMOAROMATICITY: REINFORCEMENT OF CATIONIC HOMOAROMATICITY BY O-NONCLASSICAL EFFECTSWIRTH D; BAULD NL.1980; J. COMPUT. CHEM.; ISSN 0192-8651; USA; DA. 1980; VOL. 1; NO 2; PP. 189-191; BIBL. 10 REF.Article

CONFORMATIONAL ANALOGY BETWEEN BETA -LACTAM ANTIBIOTICS AND TETRAHEDRAL TRANSITION STATES OF A DIPEPTIDEBOYD DB.1979; J. MEDICIN. CHEM.; USA; DA. 1979; VOL. 22; NO 5; PP. 533-537; BIBL. 26 REF.Article

GROUND STATES OF MOLECULES. LV: MINDO/3 STUDY OF REARRANGEMENTS OF C4H7 RADICALSDEWAR MJS; OLIVELLA S.1979; J. AMER. CHEM. SOC.; USA; DA. 1979; VOL. 101; NO 17; PP. 4958-4962; BIBL. 23 REF.Article

ON THE BARRIERS TO THERMALLY ALLOWED REACTIONS AND THE ELUSIVENESS OF NEUTRAL HOMOAROMATICITYHOUK KN; GANDOUR RW; STROZIER RW et al.1979; J. AMER. CHEM. SOC.; USA; DA. 1979; VOL. 101; NO 23; PP. 6797-6802; BIBL. 43 REF.Article

INFLUENCE OF A SILYL GROUP ON AN ALLYLIC POSITION. A THEORETICAL APPROACHDELERIS G; PILLOT JP; RAYEZ JC et al.1980; TETRAHEDRON; ISSN 0040-4020; GBR; DA. 1980; VOL. 36; NO 15; PP. 2215-2218; BIBL. 16 REF.Article

QUANTUM-CHEMICAL STUDIES OF MODEL CYTOCHROME P450 HYDROCARBON OXIDATION MECHANISMS. I: A MINDO/3 STUDY OF HYDROXYLATION AND EPOXIDATION PATHWAYS FOR METHANE AND ETHYLENEPUDZUANOWSKI AT; LOEW GH.1980; J. AMER. CHEM. SOC.; USA; DA. 1980; VOL. 102; NO 17; PP. 5443-5449; BIBL. 33 REF.Article

ENERGY PARTITIONING IN UNIMOLECULAR DECOMPOSITION. ISOTOPE EFFECTS ON THE KINETIC ENERGY RELEASE IN THE LOSS OF H2 FROM (CH2=OH)+.RICKARD GJ; COLE NW; CHRISTIE JR et al.1978; J. AMER. CHEM. SOC.; U.S.A.; DA. 1978; VOL. 100; NO 9; PP. 2904-2905; BIBL. 15 REF.Article

TRANSITION-STATE PLIABILITY IN N-TO-N PROTON TRANSFERMENGER FM; GROSSMAN J; LIOTTA DC et al.1983; JOURNAL OF ORGANIC CHEMISTRY; ISSN 0022-3263; USA; DA. 1983; VOL. 48; NO 6; PP. 905-907; BIBL. 14 REF.Article

ETUDE CHIMIQUANTIQUE ET EXPERIMENTALE DE LA CYCLOTRIMERISATION DE L'ACETYLENE ET DE L'HETEROCYCLISATION DE L'ACETYLENE AVEC LES NITRILESABRONIN IA; GORB LG; LEVIN DZ et al.1982; IZVESTIJA AKADEMII NAUK SSSR. SERIJA HIMICESKAJA; ISSN 0002-3353; SUN; DA. 1982; NO 6; PP. 2623-2625; BIBL. 6 REF.Article

THE FLUCTIONAL BEHAVIOUR OF THE P7 TRIANION: A MOLECULAR ORBITAL STUDYBOEHM MC; GLEITER R.1981; Z. NATURFORSCH., B; ISSN 0340-5087; DEU; DA. 1981; VOL. 36; NO 4; PP. 498-500; BIBL. 16 REF.Article

QUANTUM CHEMICAL STUDIES OF ETHYLENE ADDITION TO ORGANOALUMINIUM COMPOUNDSZAKHAROV II; ZAKHAROV VA.1980; REACT. KINET. CATALYS. LETTERS; SUN; DA. 1980; VOL. 14; NO 2; PP. 169-173; ABS. RUS; BIBL. 10 REF.Article

EXPERIMENTELLER UND THEORETISCHER NACHWEIS DER ENTARTETEN ISOMERISIERUNG VIA KOHLENSTOFF-PLATZWECHSEL BEIM CYCLOPENTYLKATION IN DER GASPHASE = ETUDE THEORIQUE ET EXPERIMENTALE DE L'ISOMERISATION DEGENEREE PAR CHANGEMENT DE PLACE DU CARBONE DANS LE CATION CYCLOPENTYL EN PHASE GAZEUSEFRANKE W; SCHWARZ H; THIES H et al.1980; ANGEW. CHEM.; ISSN 0044-8249; DEU; DA. 1980; VOL. 92; NO 6; PP. 488-490; BIBL. 6 REF.Article

CONSEQUENCES OF CHARGE REVERSAL OF GASEOUS FORMATE AND ACETATE IONS: ACYLOXY IONSBURSEY MM; HARVAN DJ; PARKER CE et al.1979; J. AMER. CHEM. SOC.; USA; DA. 1979; VOL. 101; NO 19; PP. 5489-5493; BIBL. 31 REF.Article

FREE RADICAL ADDITIONS. VIII: PMO-TREATMENT OF DICYANOMETHYL AND TRIFLUOROMETHYL RADICAL ADDITIONS TO VARIOUS ALKENESRIEMENSCHNEIDER K; BARTELS H; EICHEL W et al.1979; TETRAHEDRON LETTERS; GBR; DA. 1979; NO 2; PP. 189-192; BIBL. 24 REF.Article

CALCUL DE LA STRUCTURE ELECTRONIQUE DE MACROSTRUCTURES REGULIERES EN TENANT COMPTE DE L'AUTOCOHERENCE LORS DU CHOIX DES ELEMENTS MATRICIELSGAGARIN SG.1979; ZH. STRUKT. KHIM.; SUN; DA. 1979; VOL. 20; NO 4; PP. 719-721; BIBL. 7 REF.Article

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