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Results 1 to 25 of 1992

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TOPOLOGICAL LOCALIZED MOLECULAR ORBITALS. I: A LOCALIZATION METHODIN THE HMO FRAMERWORKPANIAGUA JC; MOYANO A; TEL LM et al.1983; THEORETICA CHIMICA ACTA; ISSN 0040-5744; DEU; DA. 1983; VOL. 62; NO 3; PP. 265-275; BIBL. 20 REF.Article

Absolute hardness: companion parameter to absolute electronegativityPARR, R. G; PEARSON, R. G.Journal of the American Chemical Society. 1983, Vol 105, Num 26, pp 7512-7516, issn 0002-7863Article

CARCINOGENICITY OF METHYLATED HYDROCARBONS: EFFECTS OF METHYLATION ON THE CALCULATED DIOL-EPOXIDE REACTIVITYSILVERMAN BD; LOWE JP.1982; CANCER BIOCHEMISTRY BIOPHYSICS; ISSN 0305-7232; GBR; DA. 1982; VOL. 6; NO 2; PP. 89-94; BIBL. 2 P.Article

ON THE BINDING ENERGY OF CLUSTERS WITH A SMALL NUMBER OF LITHIUM ATOMS AND VARYING SCOPE OF INTERACTION BETWEEN THE ATOMS HUECKEL MOLECULAR ORBITAL APPROXIMATIONDELINESHEV SP.1982; CRYST. RES. TECHNOL. (1979); ISSN 0232-1300; DDR; DA. 1982; VOL. 17; NO 4; PP. 399-404; ABS. RUS; BIBL. 11 REF.Article

THE LOCAL TOPOLOGICAL DEPENDENCE OF RING CURRENT IN POLYCYCLIC AROMATIC HYDROCARBONSMIZOGUCHI N.1982; CHEM. LETT.; ISSN 0366-7022; JPN; DA. 1982; NO 6; PP. 821-824; BIBL. 3 REF.Article

EINE QUALITATIVE DEUTUNG DER HUECKEL-PARAMETER MIT HILFE DER KATASTROPHENTHEORIE = SIGNIFICATION QUALITATIVE DU PARAMETRE DE HUECKEL OBTENUE A L'AIDE DE LA THEORIE DES CATASTROPHESBRUGGEMANN R; VOITLANDER J.1982; THEOR. CHIM. ACTA; ISSN 0040-5744; DEU; DA. 1982; VOL. 61; NO 4; PP. 387-395; ABS. ENG; BIBL. 12 REF.Article

A THEORETICAL-INFORMATION STUDY ON THE ELECTRON DELOCALIZATION (AROMATICITY) OF ANNULENES WITH AND WITHOUT BOND ALTERNATIONFRATEV F; ENCHEV V; POLANSKY OE et al.1982; J. MOL. STRUCT.; ISSN 0022-2860; NLD; DA. 1982; VOL. 88; NO 1-2; PP. 105-118; BIBL. 28 REF.Article

ETUDE DE LA STRUCTURE ELECTRONIQUE DES AGREGATS D'HYDROGENEGYUL'MALIEV AM.1981; Z. FIZ. HIM.; ISSN 0044-4537; SUN; DA. 1981; VOL. 55; NO 9; PP. 2425-2426; BIBL. 4 REF.Article

GEOMETRICAL AND ELECTRONIC LINKS AMONG THE STRUCTURES OF MX2 SOLIDS: STRUCTURAL ENUMERATION AND ELECTRONIC STABILITY OF PYRITE-LIKE SYSTEMSBURDETT JK; MCLARNAN TJ.1982; INORG. CHEM.; ISSN 0020-1669; USA; DA. 1982; VOL. 21; NO 3; PP. 1119-1128; BIBL. 22 REF.Article

ELECTRONIC STRUCTURE OF MOEBIUS ANNULENESKARADAKOV P; ENCHEV V; FRATEV F et al.1981; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1981; VOL. 83; NO 3; PP. 529-532; BIBL. 10 REF.Article

PATH-INTEGRAL APPROACH TO A FINITE MANY-BODY PROBLEMGRINBERG H; MARANON J.1983; PHYSICS LETTERS SECTION A; ISSN 0375-9601; NLD; DA. 1983; VOL. 94; NO 6-7; PP. 275-280; BIBL. 7 REF.Article

QUANTUM-CHEMICAL MODELING OF SMECTITE CLAYSARONOWITZ S; COYNE L; LAWLESS J et al.1982; INORGANIC CHEMISTRY; ISSN 0020-1669; USA; DA. 1982; VOL. 21; NO 10; PP. 3589-3593; BIBL. 25 REF.Article

A MODEL STUDY OF THE GROWTH OF CRYSTALS CONSISTING OF A SMALL NUMBER OF METALS ATOMS BY THE HUECKEL MOLECULAR ORBITAL METHOD. II: ADDITION OF ONE ATOM TO (N+1)-ATOMIC CLUSTERSDELINESHEV SP; BLIZNAKOV GM.1982; CRYSTAL RESEARCH AND TECHNOLOGY (1979); ISSN 0232-1300; DDR; DA. 1982; VOL. 17; NO 11; PP. 1323-1330; ABS. RUS; BIBL. 3 REF.Article

Comparison of the activation of small covalent molecules by transition dimetals and monometals: a theoretical semi-empirical studyCHAQUIN, P; SEVIN, A; YU, H. T et al.Journal of molecular structure. 1985, Vol 121, pp 121-131, issn 0022-2860Article

A theorem on p-densities in the Hückel model of linear chainsISIHARA, M.Bulletin of the Chemical Society of Japan. 1991, Vol 64, Num 7, pp 2284-2285, issn 0009-2673Article

A hypothetical metallic allotrope of carbonHOFFMANN, R; HUGHBANKS, T; KERTESZ, M et al.Journal of the American Chemical Society. 1983, Vol 105, Num 14, pp 4831-4832, issn 0002-7863Article

Shell structure and level spacing distribution in metallic clustersMANNINEN, M; MANSIKKA-AHO, J; HAMMAREN, E et al.Zeitschrift für Physik. D, atoms, molecules and clusters. 1993, Vol 26, Num 1-4, pp 28-32, issn 0178-7683Conference Paper

Quantum-chemical interpretation of the isomer shift on tin compoundsWINKLER, W; MEHNER, H.Journal of radioanalytical and nuclear chemistry. 1984, Vol 82, Num 1, pp 151-168, issn 0236-5731Article

Hydrogen-absorbing characteristics of 15 rare earth elementsHIRANO, K; KADONO, J; YAMAMOTO, S et al.Journal of alloys and compounds. 2006, Vol 408-12, pp 351-354, issn 0925-8388, 4 p.Conference Paper

Antiferromagnetic ordering of the FeBr4 d-spins via strong π―d interaction in a semiconducting EDT-CP-TTFVS·FeBr4 saltXIANGFENG SHAO; YAMAJI, Yuhta; SUGIMOTO, Toyonari et al.Journal of material chemistry. 2009, Vol 19, Num 22, pp 3688-3695, issn 0959-9428, 8 p.Article

Interlayer interaction of two graphene sheets as a model of double-layer carbon nanotubesTANAKA, K; AOKI, H; AGO, H et al.Carbon (New York, NY). 1997, Vol 35, Num 1, pp 121-125, issn 0008-6223Article

Electronic properties of bucky-tube modelYAMABE, T; OKAHARA, K; OKADA, M et al.Synthetic metals. 1993, Vol 56, Num 2-3, pp 3142-3147, issn 0379-6779Conference Paper

On the possibilities of π-ylidesLANGLER, R. F; PRECEDO, L.Canadian journal of chemistry (Print). 1990, Vol 68, Num 6, pp 939-941, issn 0008-4042Article

Polymerization of 5,6-indolequinone: a view into the band structure of melaninsGALVAO, D. S; CALDAS, M. J.The Journal of chemical physics. 1988, Vol 88, Num 6, pp 4088-4091, issn 0021-9606Article

π-systems in three dimensionsFOWLER, P. W; WOOLRICH, J.Chemical physics letters. 1986, Vol 127, Num 1, pp 78-83, issn 0009-2614Article

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