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

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

The application of inner projection technique to many electron systems as compared with the coupled cluster expansion. A study of the Pariser-Parr-Pople model of the benzene moleculeCIZEK, J; VINETTE, F.Collection of Czechoslovak chemical communications. 1988, Vol 53, Num 9, pp 1910-1918, issn 0010-0765Article

π electron calculations for predicting non-linear optical properties of moleculesLI, D; MARKS, T. J; RATNER, M. A et al.Chemical physics letters. 1986, Vol 131, Num 4-5, pp 370-375, issn 0009-2614Article

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

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

Near-resonant contribution to the hyperpolarizability in benzoporphrinsWILLIAMS, G. R. J.Journal of molecular structure. Theochem. 1993, Vol 283, pp 185-189, issn 0166-1280Article

Properties of some low-lying electronic states in polymethineimines and poly(2,3-diazabutadienes)ALBERT, I. D. L; RAMASESHA, S; DAS, P. K et al.Physical review. B, Condensed matter. 1991, Vol 43, Num 9, pp 7013-7019, issn 0163-1829Article

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

Halochromic effects of azophthalimide dyes and their prediction by PPP methodWOJCIECHOWSKI, K.Dyes and pigments. 1996, Vol 32, Num 4, pp 199-208, issn 0143-7208Article

The electronic effects of benzoic acid substituents on glycine conjugationNANBO, T.Biological & pharmaceutical bulletin. 1994, Vol 17, Num 4, pp 551-553, issn 0918-6158Article

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

Theoretical investigation of the relaxed geometry in the first singlet B_u excited state of polyacetylene oligomersBREDAS, J. L; TOUSSAINT, J. M.The Journal of chemical physics. 1990, Vol 92, Num 4, pp 2624-2629, issn 0021-9606, 6 p.Article

Wavelength regulation in bacteriorhodopsin and halorhodopsin: a Pariser-Parr-Pople multireference double excitation configuration interaction study of retinal dyesGROSSJEAN, M. F; TAVAN, P.The Journal of chemical physics. 1988, Vol 88, Num 8, pp 4884-4896, issn 0021-9606Article

Spectral studies on some phenol derivativesHASANEIN, A. A; MASOUD, M. J; HABEEB, M. M et al.Spectroscopy letters. 1988, Vol 21, Num 6, pp 481-492, issn 0038-7010Article

Spin properties of radicaloid alternant hydrocarbons: exact solutions for representative Pariser-Parr-Pople model systemsKOUTECKY, J; DÖHNERT, D; WORMER, P. E. S et al.The Journal of chemical physics. 1984, Vol 80, Num 5, pp 2244-2246, issn 0021-9606Article

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

The low-lying excitations of polydiacetyleneRACE, A; BARFORD, W; BURSILL, R. J et al.Synthetic metals. 2001, Vol 119, Num 1-3, pp 625-626, issn 0379-6779Conference Paper

Precise PPP molecular orbital calculations of excitation energies of polycyclic aromatic hydrocarbons. Part 5. Spectroactive portion of fluoranthene derivativesHIRUTA, K; TOKITA, S; TACHIKAWA, T et al.Dyes and pigments. 2000, Vol 44, Num 2, pp 123-129, issn 0143-7208Article

Nonlinear optical spectra of conjugated polymers with dephasingSHAKIN, V. A; ABE, S; KOBAYASHI, T et al.Progress in crystal growth and characterization of materials. 1996, Vol 33, Num 1-3, pp 101-104, issn 0960-8974Conference Paper

Design of donor oligomers to produce parallel spins upon charge transferMIZOUCHI, H; IKAWA, A; FUKUTOME, H et al.Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals. 1993, Vol 232-33, pp 487-492, issn 1058-725XConference Paper