A PRIORI CALCULATIONS OF MOLECULAR PHYSICAL CONSTANTS: II. AN IMPROVEMENT IN CHEMICAL SHIFT CALCULATIONS USING A MODIFIED VERSION OF THE CNDO/S METHOD.POUZARD G; RAJZMANN M.1976; ORG. MAGNET. RESON.; G.B.; DA. 1976; VOL. 8; NO 5; PP. 271-272; BIBL. 10 REF.Article

ETUDE THEORIQUE D'UN SITE CARBONE INTERSTITIEL DANS UN CARBONE PREGRAPHITIQUEJULG A; RAJZMANN M.1979; CARBON; GBR; DA. 1979; VOL. 17; NO 4; PP. 335-337; ABS. ENG; BIBL. 9 REF.Article

CALCUL A PRIORI DE CONSTANTES PHYSIQUES MOLECULAIRES: AMELIORATION DU CALCUL DE LA CONSTANTE D'ECRAN EN RESONANCE MAGNETIQUE NUCLEAIRE PAR UTILISATION D'UNE VERSION MODIFIEE DE LA METHODE CNDO/SBERNARD MOULIN P; RAJZMANN M; POUZARD G et al.1979; C.R. ACAD. SCI., C; FRA; DA. 1979; VOL. 288; NO 8; PP. 261-264; ABS. ENG; BIBL. 21 REF.Article

METHODES SEMI-EMPIRIQUES DE LA THEORIE DES ORBITALES MOLECULAIRES. II: EXTENSION DE LA METHODE CNDO/S AUX METAUX DE TRANSITION ET AUX ELEMENTS DE LA COUCHE 4RAJZMANN M; FRANCOIS P; CARLES P et al.1979; J. CHIM. PHYS. PHYS.-CHIM. BIOL.; FRA; DA. 1979; VOL. 76; NO 4; PP. 328-332; ABS. ENG; BIBL. 34 REF.Article

METHODES SEMI-EMPIRIQUES DE LA THEORIE DES ORBITALES MOLECULAIRES. I. RELATIONS ENTRE LES INTEGRALES BIELECTRONIQUES MONOCENTRIQUES EVALUEES A PARTIR DES ETATS DE VALENCE DES ATOMES ET LEURS VALEURS THEORIQUES.FRANCOIS P; CARLES P; RAJZMANN M et al.1977; J. CHIM. PHYS. PHYS.-CHIM. BIOL.; FR.; DA. 1977; VOL. 74; NO 5; PP. 606-611; ABS. ANGL.; BIBL. 16 REF.Article

A THEORETICAL AND COMPARATIVE CNDO STUDY OF CHLOROPHYLLS A AND B AND THEIR BERYLLIUM HOMOLOGS.JULG A; FRANCOIS P; RAJZMANN M et al.1976; J. THEOR. BIOL.; U.S.A.; DA. 1976; VOL. 57; NO 2; PP. 391-394; BIBL. 9 REF.Article

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

ETUDES EXPERIMENTALES ET THEORIQUES DES DEPLACEMENTS CHIMIQUES DU CARBONE-13 EN SERIE ISOTHIAZOLIQUE.FAURE R; LLINAS JR; VINCENT EJ et al.1975; CANAD. J. CHEM.; CANADA; DA. 1975; VOL. 53; NO 11; PP. 1677-1681; ABS. ANGL.; BIBL. 23 REF.Article

Localized virtual and occupied molecular orbitals. Resolution of the difficulties with use of local orbital population as the criterion for localizationRAJZMANN, M; BRENIER, B; PURCELL, K. F et al.Theoretica chimica acta. 1987, Vol 72, Num 1, pp 13-26, issn 0040-5744Article

One electron more, one electron less. What does it change ? Activations induced by electron transfer. The electron, an activating messengerCHANON, M; RAJZMANN, M; CHANON, F et al.Tetrahedron (Oxford. Print). 1990, Vol 46, Num 18, pp 6193-6299, issn 0040-4020, 107 p.Article

CONSTANTES DE COUPLAGE VICINALES A TRAVERS DEUX HETEROATOMES. III. CALCULS THEORIQUES ET MESURES EXPERIMENTALES DANS LES HYDRAZIDES ENRICHIES EN ¹⁵N.ELGUERO J; JOHNSON BL; PEREILLO JM et al.1977; ORG. MAGNET. RESON.; G.B.; DA. 1977; VOL. 9; NO 3; PP. 145-147; ABS. ANGL.; BIBL. 16 REF.Article

Étude théorique par la méthode AM1 de la nitration des amines = Theoric study using the AM1 method of amines nitrationPIACENZA, G; RAJZMANN, M; GALLO, R et al.Journal de chimie physique. 1999, Vol 96, Num 4, pp 647-664, issn 0021-7689Article

Approach to a general classification of solvents using a multivariate statistical treatment of quantitative solvent parametersCHASTRETTE, M; RAJZMANN, M; CHANON, M et al.Journal of the American Chemical Society. 1985, Vol 107, Num 1, pp 1-11, issn 0002-7863Article

Effect of nitro substituents on the photochromism of some spiro[indoline-naphthopyrans] under laser excitationKELLMANN, A; TFIBEL, F; POTTIER, E et al.Journal of photochemistry and photobiology. A, Chemistry. 1993, Vol 76, Num 1-2, pp 77-82, issn 1010-6030Article

Alkylation and ligand substitution reactions of an oxocyanomolybdenum(IV) complex. A comparative approach with molecular mechanics and EHT calculationsARZOUMANIAN, H; BOURAOUI, A; LAZZERI, V et al.New journal of chemistry (1987). 1992, Vol 16, Num 10, pp 965-972, issn 1144-0546Article

Color prevision of activated forms of photochromic spirooxazines and chromenesSAMAT, A; GARROS, G; POMMIER, H et al.Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals. 1997, Vol 297-98, pp 297-304, issn 1058-725XConference Paper

Investigation of some photochromic structures by molecular mechanics and SCF MO calculationsPOMMIER, H; SAMAT, A; GUGLIELMETTI, R et al.Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals. 1994, Vol 246, pp 241-246, issn 1058-725XConference Paper