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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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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2 |
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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3 |
Material Type: Artigo
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Ab initio calculation of hydrogen bonds in liquids: A sequential Monte Carlo quantum mechanics study of pyridine in waterMalaspina, Thaciana ; Coutinho, Kaline ; Canuto, SylvioThe Journal of chemical physics, 2002-07, Vol.117 (4), p.1692-1699 [Periódico revisado por pares]Texto completo disponível |
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4 |
Material Type: Artigo
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A Monte Carlo-quantum mechanics study of the solvatochromic shifts of the lowest transition of benzeneCoutinho, Kaline ; Canuto, Sylvio ; Zerner, M. C.The Journal of chemical physics, 2000-06, Vol.112 (22), p.9874-9880 [Periódico revisado por pares]Texto completo disponível |
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5 |
Material Type: Artigo
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Including dispersion in configuration interaction-singles calculations for the spectroscopy of chromophores in solutionCanuto, Sylvio ; Coutinho, Kaline ; Zerner, Michael C.The Journal of chemical physics, 2000-05, Vol.112 (17), p.7293-7299 [Periódico revisado por pares]Texto completo disponível |
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6 |
Material Type: Artigo
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Theoretical study of the hydrogen bond interaction between methylene blue and water and possible role on energy transfer for photodynamicsQuintão, Andréa Dias ; Coutinho, Kaline ; Canuto, SylvioInternational journal of quantum chemistry, 2002, Vol.90 (2), p.634-640 [Periódico revisado por pares]New York: Wiley Subscription Services, Inc., A Wiley CompanyTexto completo disponível |