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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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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2 |
Material Type: Artigo
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Monte carlo–quantum mechanics study of magnetic properties of hydrogen peroxide in liquid waterMaria Cristina Caputo Patricio F Provasi; Lucia Benitez; Herbert C Georg; Kaline Rabelo Coutinho; Sylvio Roberto Accioly CanutoJOURNAL OF PHYSICAL CHEMISTRY A Washington v. 118, n. 32, p. 6239-6247, ago.2014Washington 2014Acesso online |
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3 |
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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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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Combined Monte Carlo and quantum mechanics study of the solvatochromism of phenol in water. The origin of the blue shift of the lowest `pi´-`pi´* transitionRafael Carvalho Barreto Kaline Rabelo Coutinho; Herbert de Castro Georg; Sylvio CanutoPhysical Chemistry Chemical Physics v. 11, n. 9, p, 1388-1396, 2009Cambridge 2009Acesso online |
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6 |
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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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 |