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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Acrolein in water The contributon of hydrogen bond and solvation shells to the...Herbert de Castro Georg Kaline Rabelo Coutinho; Sylvio Canuto; Simpósio Brasileiro de Química Teórica (13. 2005 São Pedro)Resumos São Pedro : SBQT, 2005São Pedro SBQT 2005Item não circula. Consulte sua biblioteca.(Acessar) |
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2 |
Material Type: Artigo
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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 2005Acesso online |
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3 |
Material Type: Artigo
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A look inside the cavity of hydrated alphacyclodextrin a computer simulation studyHerbert de Castro Georg Kaline Rabelo Coutinho; Sylvio CanutoChemical Physics Letters v. 416, n. 1-3, p. 16-21, 2005New York 2005Item não circula. Consulte sua biblioteca.(Acessar) |
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4 |
Material Type: Artigo
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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 2007Acesso online |
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5 |
Material Type: Artigo
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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 2005Acesso online |
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6 |
Material Type: Artigo
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A look inside the cavity of hydrated alphacyclodextrin a computer simulation studyHerbert de Castro Georg Kaline Rabelo Coutinho; Sylvio CanutoChemical Physics Letters v. 416, n. 1-3, p. 16-21, 2005New York 2005Item não circula. Consulte sua biblioteca.(Acessar) |
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7 |
Material Type: Artigo
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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 2007Acesso online |
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8 |
Material Type: Artigo de Congresso
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Methyl Orange in aqueous environment a sequential Monte Carlo/ quantum mechanics investigationJordan Del Neto Rodrigo Gester; Rudson C Ferreira; Herbert C Georg; Kaline Rabelo Coutinho; Sylvio Canuto; Simpósio Brasileiro de Química Teórica (13. 2005 São Pedro)Resumos São Pedro : SBQT, 2005São Pedro SBQT 2005Acesso online |
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9 |
Material Type: Artigo
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Isotropi and anisotropic NMR chemical shifts in liquid water a sequential QM/MM studyEudes Eterno Fileti Herbert C Georg; Kaline Rabelo Coutinho; Sylvio CanutoJournal of the Brazilian Chemical Society São Paulo v. 18, n. 1, p. 74-84, 2007São Paulo 2007Item não circula. Consulte sua biblioteca.(Acessar) |
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10 |
Material Type: Artigo
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Isotropi and anisotropic NMR chemical shifts in liquid water a sequential QM/MM studyEudes Eterno Fileti Herbert C Georg; Kaline Rabelo Coutinho; Sylvio CanutoJournal of the Brazilian Chemical Society São Paulo v. 18, n. 1, p. 74-84, 2007São Paulo 2007Item não circula. Consulte sua biblioteca.(Acessar) |