Molecular conformation of polyaniline oligomers: optical absorption and photoemission of three-phenyl moleculesCONWELL, E. M; DUKE, C. B; PATON, A et al.The Journal of chemical physics. 1988, Vol 88, Num 5, pp 3331-3337, issn 0021-9606Article

Hydrogenation of nitrochlorobenzenes : Influence of the structure of the substrate on the rate and selectivity of the reactionVOLKOVA, T. G; KLYUYEV, M. V.Petroleum chemistry (1991). 1997, Vol 37, Num 4, pp 314-319, issn 0965-5441Article

Crystal lattice energy of ammonium and methanaminium chloridesLUBKOWSKI, J; BLAZEJOWSKI, J.Journal of thermal analysis. 1990, Vol 36, Num 6, pp 2009-2013, issn 0368-4466Article

MNDO mo theoretical study of electronic structure and homolytic dissociation of perfluoroalkanoyl peroxidesSAWADA, H; NAKAYAMA, M; KIKUCHI, O et al.Journal of fluorine chemistry. 1990, Vol 50, Num 3, pp 393-410, issn 0022-1139Article

Optimization of parameters for semiempirical methods. I: MethodSTEWART, J. J. P.Journal of computational chemistry. 1989, Vol 10, Num 2, pp 209-220, issn 0192-8651, 12 p.Article

Conformation andlectronic structure of poly(3,4-diisopropylidenecyclobutene), a cross-conjugated conductive polymerPRANATA, J; DOUGHERTY, D. A.Synthetic metals. 1987, Vol 22, Num 2, pp 171-178, issn 0379-6779Article

Using hydrogen atoms to terminate zeolite clusters : A semiempirical studyOKULIK, N. B; PIS DIEZ, R; JUBERT, A. H et al.Computational materials science. 2000, Vol 17, Num 1, pp 88-92, issn 0927-0256Article

MNDO study of the [2 + 3] cycloaddition of nitroethene to formonitrile N-oxideBARANSKI, A; CIOSLOWSKI, J.Collection of Czechoslovak chemical communications. 1991, Vol 56, Num 6, pp 1167-1172, issn 0010-0765Article

Selectivities of aromatic methyl metalation. Unexpectedly strong interactions of carbanions with aromatic ringsINAGAKI, S; IMAI, T; MORI, Y et al.Bulletin of the Chemical Society of Japan. 1989, Vol 62, Num 1, pp 79-82, issn 0009-2673, 4 p.Article

Anomeric effect and hardnessSANCHITA HATI; DIPANKAR KATTA.Journal of organic chemistry. 1992, Vol 57, Num 22, pp 6056-6057, issn 0022-3263Article

Theoretical studies of aza analogues of platonic hydrocarbons. III, Dodecahedrane and its aza derivativesALKORTA, I; ELGUERO, J; ROZAS, I et al.Journal of molecular structure. Theochem. 1991, Vol 228, pp 47-60, issn 0166-1280Article

Nonlinear susceptibilities of conjugated organic systems : fused-ring oligomersWILLIAMS, G. R. J.Australian journal of physics. 1991, Vol 44, Num 2-3, pp 299-303, issn 0004-9506Article

Molecular orbital description of the polythiazyl polymer. I: MNDO calculations of models of (SN)AQUINO, A. J. A; SOARES, L. A. II; DA SILVA, A. B. F et al.Journal of molecular structure. 1986, Vol 139, Num 3-4, pp 327-332, issn 0022-2860Article

Interaction of dichlorocarbene with iminesKOSTIKOV, R. R; KHLEBNIKOV, A. F; BESPALOV, V. YA et al.Journal of physical organic chemistry. 1993, Vol 6, Num 2, pp 83-84, issn 0894-3230Article

Comparison of MNDO to tight-binding, total-energy methods for surface atomic structure determination : aluminum phosphide (110)GODIN, T. J; LAFEMINA, J. P.International journal of quantum chemistry. 1992, Vol 44, Num 4, pp 533-542, issn 0020-7608Article

Origin of the regioselective lithiation of 1,3-disubstituted heteroatom aromatics. MNDO evidence for bidentate complexationSAA, J. M; DEYA, P. M; SUNER, G. A et al.Journal of the American Chemical Society. 1992, Vol 114, Num 23, pp 9093-9100, issn 0002-7863Article

Using theoretical descriptors in quantitative structure-activity relationships : opiate receptor activity by fentanyl-like compoundsFAMINI, G. R; ASHMAN, W. P; MICKIEWICZ, A. P et al.Quantitative structure-activity relationships. 1992, Vol 11, Num 2, pp 162-170, issn 0931-8771Conference Paper

Cycloadditions of 2,5-dimethyl-3-furannitrile oxide to alkenes and alkynesJEDLOVSKA, E; FISERA, L; KOVAC, J et al.Collection of Czechoslovak chemical communications. 1990, Vol 55, Num 10, pp 2481-2492, issn 0010-0765Article

IR laser induced decomposition of trifluoroacetic, pentafluoropropionic and heptafluorobutyric anhydridesKUBAT, P; POLA, J.Collection of Czechoslovak chemical communications. 1990, Vol 55, Num 10, pp 2460-2467, issn 0010-0765Article

MNDO study on infrared spectra of silicatesUCHIDA, N; SHINMEI, M.Journal of non-crystalline solids. 1990, Vol 122, Num 3, pp 276-284, issn 0022-3093Article

Gasphasenthermolyse von 6-Cyclopropyl- und 6-Oxiranuylpentafulvenen : Neue Wege zu Kihydroindenen und VinylcyclopentadienenGRIESBECK, V. A. G; PETERS, K; PETERS, E.-M et al.Angewandte Chemie. 1990, Vol 102, Num 7, pp 801-803, issn 0044-8249Article

MDNO and ami study of molecular geometries in excited statesERTL, P.Collection of Czechoslovak chemical communications. 1990, Vol 55, Num 6, pp 1399-1403, issn 0010-0765Article

Synthese und physikalische Eigenschaften von 3,6-Di-tert-butyl-1,4-diazapentalen = Synthèse et propriétés physiques du di-t-butyl-3,6-diaza-1,4pentalèneTANAKA, S; SATAKE, K; KIYOMINE, A et al.Angewandte Chemie. 1988, Vol 100, Num 8, pp 1134-1135, issn 0044-8249Article

MNDO-Berechnungen an schwefelorganischen Verbindungen = MNDO calculation of sulfur organocompoundFABIAN, J; BIRNER, P.Wissenschaftliche Zeitschrift der Technischen Universität Dresden. 1988, Vol 37, Num 3, pp 119-123, issn 0043-6925Article

An MNDOC study of 2,3-diazabicyclo [2.2.1]heptene and 2,3-diazabicyclo[2.2.2]octeneBUEMI, G; ZUCCARELLO, F.Journal of molecular structure. 1986, Vol 136, Num 3-4, pp 381-385, issn 0022-2860Article