Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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1 |
Material Type: Artigo
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Simulation of geometrical and electronic structure of quasi-two-dimensional layer consisting of fullerenes D 6h-C 36Gal’pern, Elena G ; Stankevich, Ivan V ; Chistyakov, Anatolii L ; Chernozatonskii, Leonid AJournal of molecular graphics & modelling, 2001, Vol.19 (2), p.189-193 [Periódico revisado por pares]Elsevier IncTexto completo disponível |
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2 |
Material Type: Artigo
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Structural identification by differential mass spectrometry as a criterion for selecting the best quantum chemical calculation of formation enthalpy for tetrachlorinated biphenylsDinca, Nicolae ; Covaci, AdrianRapid communications in mass spectrometry, 2012-09, Vol.26 (17), p.2033-2040 [Periódico revisado por pares]England: Blackwell Publishing LtdTexto completo disponível |
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3 |
Material Type: Artigo
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"False" thymine-1H-Enol guanine base pair. low misinsertion rate by DNA polymerase explained by computational chemistry considerationSeclaman, E ; Kurunczi, L ; Simon, ZBiochemistry (Moscow), 2007-03, Vol.72 (3), p.328-331 [Periódico revisado por pares]United States: Springer Nature B.VTexto completo disponível |
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4 |
Material Type: Artigo
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Optimization of parameters for semiempirical methods IV: extension of MNDO, AM1, and PM3 to more main group elementsStewart, James J PJournal of molecular modeling, 2004-04, Vol.10 (2), p.155-164 [Periódico revisado por pares]GermanyTexto completo disponível |
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5 |
Material Type: Artigo
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Oxidative activation and degradation of organophosphorus pesticides mediated by iron porphyrinsFujisawa, T.(Sumitomo Chemical Co. Ltd., Takarazuka, Hyogo (Japan)) ; Katagi, TJournal of Pesticide Science, 2005, Vol.30(2), pp.103-110 [Periódico revisado por pares]Tokyo: Pesticide Science Society of JapanTexto completo disponível |
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6 |
Material Type: Artigo
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Quantitative correlation between molecular similarity and receptor-binding activity of neonicotinoid insecticidesNakayama, Akira ; Sukekawa, MasayukiPesticide science, 1998-02, Vol.52 (2), p.104-110 [Periódico revisado por pares]London: John Wiley & Sons, LtdTexto completo disponível |
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7 |
Material Type: Artigo
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Radical production and cytotoxic activity of tert-butyl-substituted phenolsSAITO, Masatoshi ; ATSUMI, Toshiko ; SATOH, Kazue ; ISHIHARA, Mariko ; IWAKURA, Ikuko ; SAKAGAMI, Hiroshi ; YOKOE, Ichiro ; FUJISAWA, SeiichiroIn vitro & molecular toxicology, 2001, Vol.14 (1), p.53-63 [Periódico revisado por pares]Larchmont, NY: LiebertTexto completo disponível |
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8 |
Material Type: Artigo
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Stereochemistry and active conformation of a novel insecticide, acetamipridNakayama, A ; Sukekawa, M ; Eguchi, YPesticide science, 1997-10, Vol.51 (2), p.157-164 [Periódico revisado por pares]London: John Wiley & Sons, LtdTexto completo disponível |
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9 |
Material Type: Artigo
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Computational Analysis of the Oxygen Addition at the C 4a Site of Reduced Flavin in the Bacterial Luciferase Bioluminescence ReactionWada, Naohisa ; Sugimoto, Tohru ; Watanabe, Haruo ; Tu, Shiao‐ChunPhotochemistry and photobiology, 1999-07, Vol.70 (1), p.116-122 [Periódico revisado por pares]Texto completo disponível |
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10 |
Material Type: Artigo
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Computer-assisted prediction of gas chromatographic retention times of polychlorinated biphenyls by use of quantum chemical molecular propertiesMakino, Masakazu ; Kamiya, Mamoru ; Matsushita, HidetsuruChemosphere (Oxford), 1992, Vol.25 (12), p.1839-1849 [Periódico revisado por pares]OXFORD: Elsevier LtdTexto completo disponível |