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ESTUDIO DE LA DEFORMACION MOLECULAR EN LOS ANULENOS. VI: 22-ANULENO = ETUDE DE LA DEFORMATION MOLECULAIRE DANS LES ANNULENES. VI. (22) ANNULENEHERNANDO JM; ENRIQUE F; MARTINEZ R et al.1980; AN. QUIM.; ESP; DA. 1980; VOL. 76; NO 1; PP. 149-151; ABS. ENG; BIBL. 7 REF.Article

A PARISER-PARR-POPLE-BASED SET OF HUCKEL MOLECULAR ORBITAL PARAMETERSVAN CATLEDGE FA.1980; J. ORG. CHEM.; ISSN 0022-3263; USA; DA. 1980; VOL. 45; NO 23; PP. 4801-4802; BIBL. 7 REF.Article

QUANTUMCHEMICAL PERTURBATION EXPANSION FOR THE ESTIMATION OF THE REACTION PATH IN RADICAL-RADICAL REACTIONSSAUER J; JUNG C.1978; Z. PHYS. CHEM. LEIPZIG; DDR; DA. 1978; VOL. 259; NO 5; PP. 929-936; ABS. GER; BIBL. 16 REF.Article

MO-CALCULATIONS OF THE ENERGY TRANSFER ACTIVITIES OF ORGANIC PI -STRUCTURES IN THE PHOTO-FRIES REARRANGEMENT. II. SELECTION OF SENSITIZERS AND INHIBITORS OF THE PHOTO-FRIES REACTION BASED ON THEORETICAL ABSORPTION AND FLUORESCENCE DATA.MEHLHORN A; SCHWENZER B; SCHWETLICK K et al.1977; TETRAHEDRON; G.B.; DA. 1977; VOL. 33; NO 12; PP. 1489-1491; BIBL. 31 REF.Article

COMMENT ON QUADRUPOLE MOMENTS, DIPOLE QUADRUPOLE A AND QUADRUPOLE C POLARIZABILITIES BY MEANS OF PERTURBATION THEORYMAKSIC ZB.1980; INT. J. QUANTUM CHEM.; ISSN 0020-7608; USA; DA. 1980; VOL. 18; NO 6; PP. 1483-1484; BIBL. 7 REF.Article

SEMI-EMPIRICAL PARAMETERS IN PI -ELECTRON SYSTEMS. XIV. PARAMETERS FOR THE METHOXY AND ETHYL GROUPS.HOJER G; MEZA HOJER S; GAYTAN F et al.1977; ACTA CHEM. SCAND., B; DANEM.; DA. 1977; VOL. 31; NO 6; PP. 445-452; BIBL. 34 REF.Article

COMPARAISON DES DONNEES CINETIQUES ET DES CALCULS QUANTOCHIMIQUES DE LA DECOMPOSITION INTRAMOLECULAIRE DE LA LIAISON O-CARBOXYAMIDENECHAEV PP; MUKHINA OA; KOSOBUTSKIJ VA et al.1977; IZVEST. AKAD. NAUK S.S.S.R., SER. KHIM.; S.S.S.R.; DA. 1977; NO 8; PP. 1750-1755; BIBL. 22 REF.Article

QUANTENCHEMISCHE REAKTIVITAETSUNTERSUCHUNGEN AN AMINO-PHENYL-OXADIAZOLEN. = ETUDES DE REACTIVITE QUANTOCHIMIQUES SUR AMINO-PHENYL-OXADIAZOLESHABERDITZL W; BARTEL HG; WESTPHAL G et al.1976; Z. CHEM.; DTSCH.; DA. 1976; VOL. 16; NO 8; PP. 325-327; BIBL. 14 REF.Article

RELATION ENTRE LA STRUCTURE CHIMIQUE DES O-CARBOXYAMIDES ET LEUR REACTIVITE DANS LA REACTION DE DECOMPOSITION INTRAMOLECULAIREMUKHINA OA; NECHAEV PP; KOSOBUTSKIJ VA et al.1979; IZVEST. AKAD. NAUK S.S.S.R., SER. KHIM.; SUN; DA. 1979; NO 7; PP. 1640-1642; BIBL. 9 REF.Article

POLARIZABILITY CALCULATIONS WITH THE SCF METHOD. II: THE BENZENE MOLECULEZAMANI KHAMIRI O; MCINTYRE EF; HAMEKA HF et al.1980; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1980; VOL. 72; NO 2; PP. 1280-1284; BIBL. 15 REF.Article

A THEORETICAL AND EXPERIMENTAL STUDY OF THE CARBON 1S SHAKE-UP STRUCTURE OF BENZENE.LUNELL S; SVENSSON S; MALMQVIST PA et al.1978; CHEM. PHYS. LETTERS; NETHERL.; DA. 1978; VOL. 54; NO 3; PP. 420-424; BIBL. 11 REF.Article

BASICITE ET STRUCTURE ELECTRONIQUE PI DES FLAVONESFROLOV YU L; SAPOZHNIKOV YU M; PETRUSHENKO KB et al.1977; IZVEST. AKAD. NAUK SSSR, SER. KHIM.; S.S.S.R.; DA. 1977; NO 8; PP. 1888-1890; BIBL. 17 REF.Article

Theoretical basis and design of the PPP model HamiltonianJUG, K.International journal of quantum chemistry. 1990, Vol 37, Num 4, pp 403-414, issn 0020-7608, 12 p.Article

Valence bond approach ewploiting Clifford algebra realization of Rumer-Weyl basisXIANGZHU LI; PALDUS, J.International journal of quantum chemistry. 1991, Vol 41, Num 1, pp 117-146, issn 0020-7608Article

THE ORIGIN OF THE COLOUR OF INDIGO DYESKLESSINGER M.1982; DYES PIGM.; ISSN 0143-7208; GBR; DA. 1982; VOL. 3; NO 2-3; PP. 235-241; BIBL. 19 REF.Article

THEORETISCHE UNTERSUCHUNGEN ZUM ABSORPTIONSVERHALTEN VON HYDROXYINDOLEN = ETUDES THEORIQUES DU COMPORTEMENT D'ABSORPTION DES HYDROXYINDOLESFABIAN W.1983; ZEITSCHRIFT FUER NATURFORSCHUNG. TEIL A. PHYSIK, PHYSIKALISCHE CHEMIE, KOSMOPHYSIK; ISSN 0340-4811; DEU; DA. 1983; VOL. 38; NO 5; PP. 566-569; ABS. ENG; BIBL. 28 REF.Article

GEKREUZT-KONJUGIERTE POLYENE. II: SEMIEMPIRISCHE RECHNUNGEN ZUR KONFORMATIONSANALYSE DES BI-(4,4-DIMETHYL-2,5-CYCLOHEXADIEN-1-YLIDEN) = POLYENES CONJUGUES CROISES. II. CALCULS SEMIEMPIRIQUES POUR L'ANALYSE DE CONFORMATION DU BI-(DIMETHYL-4,4 CYCLOHEXADIENE-2,5 YLIDENE-1)JANSSEN J; LUETTKE W.1982; J. MOL. STRUCT.; ISSN 0022-2860; NLD; DA. 1982; VOL. 81; NO 1-2; PP. 73-86; ABS. ENG; BIBL. 50 REF.Article

Dynamic dielectric screening and exciton binding energies in conjugated polymersWEIBEL, J; YARON, D.SPIE proceedings series. 1997, pp 272-281, isbn 0-8194-2567-2Conference Paper

Diagrammatic valence-bond theory for finite model HamiltoniansRAMASESHA, S; SOOS, Z. G.International journal of quantum chemistry. 1984, Vol 25, Num 6, pp 1003-1021, issn 0020-7608Article

A model exact calculation of SHG coefficients in polysubstituted push-pull polyenesALBERT, I. D. L; DAS, P. K; RAMASESHA, S et al.Chemical physics letters. 1990, Vol 168, Num 5, pp 454-460, issn 0009-2614, 7 p.Article

The PPP-CI scheme as a fundamental physical modelDEL RE, G.International journal of quantum chemistry. 1990, Vol 37, Num 4, pp 497-508, issn 0020-7608, 12 p.Article

CALCUL DES MOMENTS DIPOLAIRES DE TRANSITION DANS LA METHODE D'INTERACTION DE CONFIGURATION AVEC BIEXCITATIONSKANEV I.1982; J. CHIM. PHYS. PHYSICOCHIM. BIOL.; ISSN 0021-7689; FRA; DA. 1982; VOL. 79; NO 5; PP. 397-400; ABS. ENG; BIBL. 12 REF.Article

A STUDY OF RADIATION-INDUCED FREE RADICALS IN THYMINE BY SPIN-UNRESTRICTED MOLECULAR ORBITAL CALCULATIONS.HEIBERG AB; JENSEN HH.1977; ACTA CHEM. SCAND., A; DANEM.; DA. 1977; VOL. 31; NO 3; PP. 195-202; BIBL. 23 REF.Article

Multiple solutions of coupled-cluster equations for PPP model of [10]annulenePODESZWA, Rafał; STOLARCZYK, Leszek Z.Chemical physics letters. 2002, Vol 366, Num 3-4, pp 426-432, issn 0009-2614, 7 p.Article

Practical PPP molecular orbital calculations of absorption maxima of quinonesHIRUTA, K; TOKITA, S; NISHIMOTO, K et al.Dyes and pigments. 1998, Vol 38, Num 1-3, pp 165-172, issn 0143-7208Article

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