Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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1 |
Material Type: Artigo de Congresso
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A Monte Carlo - quantum mechanics study of the absorption spectrum of vitamin B12 (cyanocobalamin) in waterPaula Jaramillo Kaline Rabelo Coutinho; Sylvio Canuto; Escola Brasileira de Estrutura Eletrônica (12th 2010 Brasília, DF)ResumoSão Paulo SBF 2010Acesso online |
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2 |
Material Type: Artigo
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A Monte Carlo-quantum mechanics study of the lowest n-`pi´* and `pi´-`pi´* states of uracil in waterValdemir Ludwig Kaline Rabelo Coutinho; Sylvio CanutoPhysical Chemistry Chemical Physics v. 9, n. 35 p. 1409-1412, 2007Cambridge 2007Acesso online |
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3 |
Material Type: Artigo
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A Monte Carlo-quantum mechanics study of the lowest n-`pi´* and `pi´-`pi´* states of uracil in waterValdemir Ludwig Kaline Rabelo Coutinho; Sylvio CanutoPhysical Chemistry Chemical Physics v. 9, n. 35 p. 1409-1412, 2007Cambridge 2007Acesso online |
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4 |
Material Type: Artigo
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A Monte Carlo-quantum mechanics study of the spectroscopic properties of molecules in solutionKaline Rabelo Coutinho N Saavedra; A Serrano; Sylvio CanutoJournal of Molecular Structure-Theochem Amsterdam v. 539, p. 171-179, 2001Amsterdam 2001Acesso online |
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5 |
Material Type: Artigo
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A Monte Carlo-quantum mechanics study of the spectroscopic properties of molecules in solutionKaline Rabelo Coutinho N Saavedra; A Serrano; Sylvio CanutoJournal of Molecular Structure-Theochem Amsterdam v. 539, p. 171-179, 2001Amsterdam 2001Acesso online |
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6 |
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 waterThaciana Malaspina Kaline Rabelo Coutinho; Sylvio CanutoJournal of Chemical Physics Melville v. 117, n. 4, p. 1692-1699, 2002Melville 2002Acesso online |
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7 |
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 waterThaciana Malaspina Kaline Rabelo Coutinho; Sylvio CanutoJournal of Chemical Physics Melville v. 117, n. 4, p. 1692-1699, 2002Melville 2002Acesso online |
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8 |
Material Type: Artigo
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An efficient quantum mechanical/molecular mechanics Monte Carlo simulation of liquid waterWillian R Rocha Kaline Rabelo Coutinho; Sylvio Roberto Accioly Canuto; Wagner B de AlmeidaChemical Physics Letters Amsterdam v. 335, n. 1-2, p. 127-133, 2001Amsterdam 2001Acesso online |
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9 |
Material Type: Artigo
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An efficient quantum mechanical/molecular mechanics Monte Carlo simulation of liquid waterWillian R Rocha Kaline Rabelo Coutinho; Sylvio Roberto Accioly Canuto; Wagner B de AlmeidaChemical Physics Letters Amsterdam v. 335, n. 1-2, p. 127-133, 2001Amsterdam 2001Acesso online |
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10 |
Material Type: Artigo
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Combined Monte Carlo and quantum mechanics study of the hydration of the guanine-cytosine base pairKaline Rabelo Coutinho Valdemir Ludwig; Sylvio CanutoPhysical Review E v. 69, n. 6, p. 061902/1-061902/7, 2004New York 2004Acesso online |