Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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11 |
Material Type: Article
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A sequential Monte Carlo quantum mechanics study of the hydrogen-bond interaction and the solvatochromic shift of the n-"pi" transition of acrolein in waterHerbert de Castro Georg Kaline Rabelo Coutinho; Sylvio CanutoJournal of Chemical Physics v. 123, n. 12, p. 124307/1-124307/8, 2005New York 2005Online access |
12 |
Material Type: Article
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Solvent effects on the UV-visible absorption spectrum of benzophenone in water a combined Monte Carlo quantum mechanics study including solute polarizationH C Georg Kaline Rabelo Coutinho; Sylvio CanutoJournal of Chemical Physics v. 126, n. 3, p. 034507/1-034507/8, 2007Menasha 2007Online access |
13 |
Material Type: Article
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The isotropic nuclear magnetic shielding constants of acetone in supercritical water a sequential Monte Carlo/quantum mechanics study including solute polarizationTertius L Fonseca Kaline Rabelo Coutinho; Sylvio CanutoJournal of Chemical Physics v. 128, n. 1, p. 034502/1-034502/9, 2008Woodbury 2008Online access |
14 |
Material Type: Article
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A sequential Monte Carlo quantum mechanics study of the hydrogen-bond interaction and the solvatochromic shift of the n-"pi" transition of acrolein in waterHerbert de Castro Georg Kaline Rabelo Coutinho; Sylvio CanutoJournal of Chemical Physics v. 123, n. 12, p. 124307/1-124307/8, 2005New York 2005Online access |
15 |
Material Type: Article
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The isotropic nuclear magnetic shielding constants of acetone in supercritical water a sequential Monte Carlo/quantum mechanics study including solute polarizationTertius L Fonseca Kaline Rabelo Coutinho; Sylvio CanutoJournal of Chemical Physics v. 128, n. 1, p. 034502/1-034502/9, 2008Woodbury 2008Online access |
16 |
Material Type: Article
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Solvent effects on the UV-visible absorption spectrum of benzophenone in water a combined Monte Carlo quantum mechanics study including solute polarizationH C Georg Kaline Rabelo Coutinho; Sylvio CanutoJournal of Chemical Physics v. 126, n. 3, p. 034507/1-034507/8, 2007Menasha 2007Online access |