Heptafulvalene-3,4-dione, a novel p-tropoquinone methide-type compoundTAKAHASHI, K; NAMEKATA, N; TAKASE, K et al.Tetrahedron letters. 1986, Vol 27, Num 45, pp 5515-5516, issn 0040-4039Article

Electronic spectral properties of redox coenzyme pyrroloquinoline quinone: a CNDO-CO studyKRECHL, J; BOHM, S; KUTHAN, J et al.Collection of Czechoslovak chemical communications. 1989, Vol 54, Num 5, pp 1203-1208, issn 0010-0765, 6 p.Article

Effect of the nature of heteroatoms of group V on the electronic structure and spectral luminescence characteristics of 5-phenyldibenzophosphole, arsole, and stiboleGODIK, V. A; RODIONOV, A. N; Russian journal of physical chemistry. 1992, Vol 66, Num 5, pp 671-673, issn 0036-0244Article

meso-[2.2]Paracyclophanyltriphenylporphyrin: electronic consequences of linking paracyclophane to porphyrinCZUCHAJOWSKI, L; BENNETT, J. E; GOSZCZYNSKI, S et al.Journal of the American Chemical Society. 1989, Vol 111, Num 2, pp 607-616, issn 0002-7863, 10 p.Article

Electronic spectra of dibenzo [b, h] biphenyleneYAMAGUCHI, H; BAUMANN, H.Journal of the Chemical Society. Faraday Transactions II. 1988, Vol 84, Num 4, pp 417-422, issn 0300-9238Article

[4]metacyclophane: STO-3G molecular structure, strain energy and CNDO/S-CI electronic transition energiesJENNESKENS, L. W; LOUWEN, J. N.Journal of physical organic chemistry. 1993, Vol 6, Num 3, pp 163-170, issn 0894-3230Article

The calculation of hyperpolarizabilities of organic moleculesMASLIANITSIN, I. A; SHIGORIN, V. D; SHIPULO, G. P et al.Chemical physics letters. 1992, Vol 194, Num 4-6, pp 355-358, issn 0009-2614Article

A minimal basis-set CNDO/2(S+DES CI) study on the excited states of hydrogenated polysilane model compoundsBIGELOW, R. W.Chemical physics letters. 1986, Vol 126, Num 1, pp 63-68, issn 0009-2614Article

Influence of hydrogen-bonded dimers on the luminescence of 2-pyridoneTESTA, A. C.Journal of photochemistry and photobiology. A, Chemistry. 1992, Vol 64, Num 1, pp 73-79, issn 1010-6030Article

Ground- and excited-state conformational heterogeneity of the 2'-naphthylbutadiene chromophore of a fluorescent cholesterol analogue probeDREW, J; ZERBETTO, F; SZABO, A. G et al.Journal of physical chemistry (1952). 1990, Vol 94, Num 11, pp 4439-4446, issn 0022-3654Article

Study of cation binding in the ground and n-π* excited states of some molecules by electrostatic potential mappingANIL KUMAR; MISHRA, P. C.Indian journal of pure & applied physics. 1990, Vol 28, Num 8, pp 440-447, issn 0019-5596Article

Theoretical approach in explanation of energy donor properties of 1,4-dioxane and 1,4-dioxane-water complexesPOLACKI, Z; RAK, J; TEMPCZYK, A et al.Zeitschrift für Naturforschung. A, A Journal of physical sciences. 1988, Vol 43, Num 7, pp 621-626, issn 0932-0784Article

Photoelectron and UV spectroscopic investigations of homoconjugative interactions between parallel C=C and N=N bondsBECK, K; HÜNIG, S; KLEEFELD, G et al.Chemische Berichte. 1986, Vol 119, Num 2, pp 543-553, issn 0009-2940Article

Nature of substituent effect of nitro and methoxyl group on photocycloaddition of polymethylene dicinnamatesKUZUYA, M; YOKOTA, N; NOGUCHI, A et al.Bulletin of the Chemical Society of Japan. 1986, Vol 59, Num 5, pp 1379-1385, issn 0009-2673Article

A study of the electronic properties of 6,7-dihydroxy coumarin moleculeTASZNER, S; WOJCIE CHOWSKA, E.Acta physica Polonica. A. 1984, Vol 65, Num 4, pp 355-360, issn 0587-4246Article

Structural increments in UV spectra of conjugated carbonyl compounds. II: CNDO/S-CI calculations of electronic spectra of enamino aldehydes, enamino ketones and enamino amidesKANIA, L; KAMIENŁSKA-TRELA, K; WITANOWSKI, M et al.Journal of molecular structure. 1984, Vol 117, Num 1-2, pp 19-31, issn 0022-2860Article

Photochemistry of argon matrices containing nitric oxide and carbonyl sulfide. I: The photolysis of the nitric oxide dimer, cis-N₂O₂HAWKINS, M; DOWNS, A. J.Journal of physical chemistry (1952). 1984, Vol 88, Num 8, pp 1527-1533, issn 0022-3654Article

CNDO/S CI ROTATIONAL STRENGTH CALCULATIONS FOR (S)-1-METHYLINDANFU MING CHEN; SMITH HE.1980; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1980; VOL. 76; NO 2; PP. 291-293; BIBL. 14 REF.Article

ELECTRONIC PROPERTIES AND OPTICAL ACTIVITY OF OLIGOPEPTIDES. III: SOME CYCLOHEXAPEPTIDES WITH GLYCINE, L- AND D-ALANINEISELI M; WAGNIERE G; BRAHMS JG et al.1979; HELV. CHIM. ACTA; CHE; DA. 1979; VOL. 62; NO 4; PP. 921-931; BIBL. 24 REF.Article

Zur Interpretation des Substituenten ein flusses auf das UV-spektroskopische Verhalten von Benzimidazol- und Indazolderivaten = Interprétation des effets de substituants sur les propriétés spectroscopiques UV de dérivés de la benzimidazole et de l'indazole = On the interpretation of the influence of substituents on the UV-spectroscopic propreties of benzimidazole and indazole derivatesFABIAN, W.Zeitschrift für Naturforschung. Teil A : Physik, physikalische Chemie, Kosmophysik. 1983, Vol 38, Num 12, pp 1365-1372, issn 0340-4811Article

CNDO/S-CI CALCULATION OF HUBBARD PARAMETERS FOR DOUBLY CHARGED TCNQ TETRAMERMALEK J; DRCHAL V; HEJDA B et al.1982; CZECH. J. PHYS.; ISSN 0011-4626; CSK; DA. 1982; VOL. 32; NO 1; PP. 39-48; BIBL. 24 REF.Article

UNTERSUCHUNGEN ZUR ANWENDBARKEIT DES CNDO/S-CI-VERFAHRENS FUER DIE BERECHNUNG DER ANREGUNGS-ENERGIEN ORGANISCHER VERBINDUNGEN AM BEISPIEL VON PHTHALSAUEREDERIVATEN = ETUDE DE L'APPLICABILITE DE LA METHODE CNDO/S-CI POUR LES CALCULS DE L'ENERGIE D'EXCITATION DE COMPOSES ORGANIQUES AVEC DES DERIVES DE L'ACIDE PHTALIQUE COMME EXEMPLESFABIAN W.1980; Z. NATURFORSCH.; ISSN 0340-4811; DEU; DA. 1980; VOL. 35; NO 8; PP. 865-868; ABS. ENG; BIBL. 30 REF.Article

SOME THEORETICAL CONSIDERATIONS ABOUT THE EXCITED SINGLET AND TRIPLET STATES OF DIFORMAMIDE AND N-METHYL DIFORMAMIDE.MARANON J; SORARRAIN OM.1977; Z. NATURFORSCH., A; DTSCH.; DA. 1977; VOL. 32; NO 1; PP. 98-99; BIBL. 14 REF.Article

THE LOW LYING SINGLET STATES OF P-TERPHENYL CRYSTALWAKAYAMA NI; MATSUZAKI S; MIZUNO M et al.1980; CHEM. PHYS. LETTERS; NLD; DA. 1980; VOL. 74; NO 1; PP. 37-39; BIBL. 8 REF.Article

A CNDO S-CI investigation of planar and orthogonal anisoleKONSCHIN, H; LINDBLAD, M.Journal of molecular structure. 1983, Vol 104, Num 1-2, pp 37-47, issn 0022-2860Article