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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Solvent effects on the π shape resonances of uracilCornetta, L. M. ; Coutinho, K. ; Varella, M. T. do N.The Journal of chemical physics, 2020-02, Vol.152 (8), p.084301-084301 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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2 |
Material Type: Artigo
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An efficient statistically converged average configuration for solvent effectsCoutinho, K. ; Georg, H.C. ; Fonseca, T.L. ; Ludwig, V. ; Canuto, S.Chemical physics letters, 2007-03, Vol.437 (1), p.148-152 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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3 |
Material Type: Artigo
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On the calculation of magnetic properties of nucleic acids in liquid water with the sequential QM/MM methodColherinhas, G. ; Oliveira, L.B.A. ; Castro, M.A. ; Fonseca, T.L. ; Coutinho, K. ; Canuto, S.Journal of molecular liquids, 2019-11, Vol.294, p.111611, Article 111611 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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4 |
Material Type: Artigo
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Isotropic magnetic shielding constants of retinal derivatives in aprotic and protic solventsColherinhas, G ; Fonseca, T L ; Castro, M A ; Coutinho, K ; Canuto, SThe Journal of chemical physics, 2013-09, Vol.139 (9), p.094502-094502 [Periódico revisado por pares]United StatesTexto completo disponível |
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5 |
Material Type: Artigo
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Electron collisions with the HCOOH···(H2O)n complexes (n = 1, 2) in liquid phase: the influence of microsolvation on the π resonance of formic acidFreitas, T C ; Coutinho, K ; Varella, M T do N ; Lima, M A P ; Canuto, S ; Bettega, M H FThe Journal of chemical physics, 2013-05, Vol.138 (17), p.174307-174307 [Periódico revisado por pares]United StatesTexto completo disponível |
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6 |
Material Type: Artigo
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Membrane negative curvature induced by a hybrid peptide from pediocin PA-1 and plantaricin 149 as revealed by atomistic molecular dynamics simulationsda Hora, G C A ; Archilha, N L ; Lopes, J L S ; Müller, D M ; Coutinho, K ; Itri, R ; Soares, T ASoft matter, 2016-01, Vol.12 (43), p.8884-8898 [Periódico revisado por pares]EnglandTexto completo disponível |
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7 |
Material Type: Artigo
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Polarization and Spectral Shift of Benzophenone in Supercritical WaterFonseca, T. L ; Georg, H. C ; Coutinho, K ; Canuto, SThe journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-04, Vol.113 (17), p.5112-5118 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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8 |
Material Type: Artigo
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Electronic polarization of liquid water: converged Monte Carlo-quantum mechanics results for the multipole momentsCoutinho, K ; Guedes, R.C ; Costa Cabral, B.J ; Canuto, SylvioChemical physics letters, 2003-02, Vol.369 (3), p.345-353 [Periódico revisado por pares]Amsterdam: Elsevier B.VTexto completo disponível |
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9 |
Material Type: Artigo
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The electronic spectrum of N-methylacetamide in aqueous solution: a sequential Monte Carlo/quantum mechanical studyRocha, Willian R ; De Almeida, Katia J ; Coutinho, K ; Canuto, SylvioChemical physics letters, 2001-09, Vol.345 (1), p.171-178 [Periódico revisado por pares]Amsterdam: Elsevier B.VTexto completo disponível |
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10 |
Material Type: Artigo
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New approach to instantaneous polarizable electrostatic embedding of the solventKiataki, M.B. ; do N. Varella, M.T. ; Coutinho, K.Journal of molecular liquids, 2023-11, Vol.389, p.122861, Article 122861 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |