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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Monte Carlo-quantum mechanics study of the solvatochromic shifts of the lowest transition of benzeneKaline Rabelo Coutinho Sylvio Canuto; M C ZernerJournal of Chemical Physics New York v. 112, n. 22, p. 9874-9880, 2000New York 2000Acesso online |
2 |
Material Type: Artigo
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Monte Carlo-quantum mechanics study of the solvatochromic shifts of the lowest transition of benzeneKaline Rabelo Coutinho Sylvio Canuto; M C ZernerJournal of Chemical Physics New York v. 112, n. 22, p. 9874-9880, 2000New York 2000Acesso online |
3 |
Material Type: Artigo
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Solvent effects in emission spectroscopy a Monte Carlo quantum mechanics study of the n<-''pi'POT.*' shift of formaldehyde in waterKaline Rabelo Coutinho Sylvio CanutoJournal of Chemical Physics Woodbury v. 1113, n. 20, p. 9132-9139, 2000Woodbury 2000Acesso online |
4 |
Material Type: Artigo
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Solvent effects in emission spectroscopy a Monte Carlo quantum mechanics study of the n<-''pi'POT.*' shift of formaldehyde in waterKaline Rabelo Coutinho Sylvio CanutoJournal of Chemical Physics Woodbury v. 1113, n. 20, p. 9132-9139, 2000Woodbury 2000Acesso online |
5 |
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 |
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 |
7 |
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 |
8 |
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 |
9 |
Material Type: Artigo
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Probing supercritical water with the n-''pi' POT.*' transition of acetone a Monte Carlo/quantum mechanics studyTertius Fonseca Kaline Rabelo Coutinho; Sylvio CanutoJournal of Chemical Physics v. 126, n. 3, p. 034508/1-034508/9, 2007Menasha 2007Acesso online |
10 |
Material Type: Artigo
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Probing supercritical water with the n-''pi' POT.*' transition of acetone a Monte Carlo/quantum mechanics studyTertius Fonseca Kaline Rabelo Coutinho; Sylvio CanutoJournal of Chemical Physics v. 126, n. 3, p. 034508/1-034508/9, 2007Menasha 2007Acesso online |