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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Combined use of tandem mass spectrometry and computational chemistry to study 2H-chromenes from Piper aduncumAmauri Alves Souza Ricardo Vessecchi; Ian Castro-Gamboa; Maysa FurlanJournal of Mass Spectrometry Oxford v. 54, n. 7, p. 634-642, 2019Oxford 2019Localização: FFCLRP - Fac. Fil. Ciên. Let. de R. Preto (pcd 3014898 Estantes Deslizantes )(Acessar) |
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2 |
Material Type: Artigo
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Nonlinear optical study in a set of dibenzylideneacetone derivatives with potential for optical frequency conversionFrancisco A. Santos Luis M. G Abegão; Ruben D Fonseca; Aline M Alcântara; Cleber Renato Mendonça; Márcio A. R. C Alencar; Marcelo S Valle; Kenji Kamada; Leonardo De Boni; J. J Rodrigues JuniorPhotonics Basel : MDPI AG v. 7, n. 1, p. 8-1-8-13, Mar. 2020Basel 2020Localização: IFSC - Inst. Física de São Carlos (PROD029839 )(Acessar) |
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3 |
Material Type: Artigo
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Nonlinear optical materials predicting the first-order molecular hyperpolarizability of organic molecular structuresFrancisco de Assis Santos Carlos Eduardo Ribeiro; José Joatan Rodrigues Junior; Leonardo De Boni; Luis Miguel Gomes AbegãoPhotonics Basel v. 10, n. 5, p. 545-1- 545-19 + supplementary material, May 2023Basel 2023Localização: IFSC - Inst. Física de São Carlos (PROD034588 )(Acessar) |
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4 |
Material Type: Artigo
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Calculation of the one- and two-photon absorption spectra of water-soluble stilbene derivatives using a multiscale QM/MM approachTárcius N. Ramos Leandro Franco; Daniel Silva; Sylvio CanutoChinese Journal of Chemical Physics (CJCP) Maryland: American Institute of Physics (AIP), 2023 v. 159, n. 2, 14 de julho de 2023, número do artigo: 024309Maryland 2023Item não circula. Consulte sua biblioteca.(Acessar) |
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5 |
Material Type: Artigo
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No Need for a Re-examination of the Electrostatic Notation of the Hydrogen Bonding: A CommentFrenking, Gernot ; Caramori, Giovanni F.Angewandte Chemie (International ed.), 2015-02, Vol.54 (9), p.2596-2599 [Periódico revisado por pares]Weinheim: WILEY-VCH VerlagTexto completo disponível |
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6 |
Material Type: Artigo
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Theoretical evaluation of the inhibition properties of two thiophene derivatives on corrosion of carbon steel in acidic mediaGece, G.Materials and corrosion, 2013-10, Vol.64 (10), p.940-944 [Periódico revisado por pares]Weinheim: WILEY-VCH VerlagTexto completo disponível |
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7 |
Material Type: Artigo
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Improved General Understanding of the Hydrogen-Bonding Phenomena: A ReplyWeinhold, F. ; Klein, Roger A.Angewandte Chemie (International ed.), 2015-02, Vol.54 (9), p.2600-2602 [Periódico revisado por pares]Weinheim: WILEY-VCH VerlagTexto completo disponível |
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8 |
Material Type: Artigo
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Structure and thermodynamic properties of adducts based on cucurbit[6]uril and Fe(III)/Fe(II) aqua complexes: A DFT examinationMasliy, A. N. ; Grishaeva, T. N. ; Kuznetsov, A. M.International journal of quantum chemistry, 2023-07, Vol.123 (14), p.n/a [Periódico revisado por pares]Hoboken, USA: John Wiley & Sons, IncTexto completo disponível |
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9 |
Material Type: Artigo
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Nature and magnitude of aromatic base stacking in DNA and RNA: Quantum chemistry, molecular mechanics, and experimentŠponer, Jiří ; Šponer, Judit E. ; Mládek, Arnošt ; Jurečka, Petr ; Banáš, Pavel ; Otyepka, MichalBiopolymers, 2013-12, Vol.99 (12), p.978-988 [Periódico revisado por pares]United States: Blackwell Publishing LtdTexto completo disponível |
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10 |
Material Type: Artigo
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Enantioselective Desymmetrization of Prochiral Cyclohexanones by Organocatalytic Intramolecular Michael Additions to α,β-Unsaturated EstersGammack Yamagata, Adam D. ; Datta, Swarup ; Jackson, Kelvin E. ; Stegbauer, Linus ; Paton, Robert S. ; Dixon, Darren J.Angewandte Chemie (International ed.), 2015-04, Vol.54 (16), p.4899-4903 [Periódico revisado por pares]Weinheim: WILEY-VCH VerlagTexto completo disponível |