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 sequential Monte Carlo quantum mechanics calculations of trans-resveratrol in aqueous solutionTarciso Silva Andrade Filho Hardiney Martins; R M Gester; Rudson C Ferreira; Sheila Cristina Santos Costa; Jordan Del Nero; Kaline Rabelo Coutinho; Sylvio Canuto; Encontro Nacional de Física da Matéria Condensada (29. 2006 São Lourenço)São Paulo : Sociedade Brasileira de Física, 2006São Paulo 2006Acesso online |
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2 |
Material Type: Artigo de Congresso
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Solvent influence in the ultra-violet visible absorption spectra of pyrazine derivative a monte Carlo / quantum mechanics sequential treatmentR M Gester C Ferreira; Aldilene Saraiva Souza; Jordan Del Nero; Kaline Rabelo Coutinho; Sylvio Canuto; Encontro Nacional de Física da Matéria Condensada (29. 2006 São Lourenço)São Paulo : Sociedade Brasileira de Física, 2006São Paulo 2006Acesso online |
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3 |
Material Type: Artigo de Congresso
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Solvent effects in the UV-Vis absorption spectra of Furan-2,3-dione derivative a Monte Carlo / Quantum mechanics investigationR M Gester C Ferreira; Aldilene Saraiva Souza; Jordan Del Nero; Kaline Rabelo Coutinho; Sylvio Canuto; Encontro Nacional de Física da Matéria Condensada (29. 2006 São Lourenço)São Paulo : Sociedade Brasileira de Física, 2006São Paulo 2006Acesso online |
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4 |
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 |
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5 |
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 |
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6 |
Material Type: Artigo
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A Monte carlo-quantum mechanics study of the solvent-induced spectral shift and the specific role of hydrogen bonds in the conformational equilibrium of furfural in waterRoberto Rivelino Kaline Rabelo Coutinho; Sylvio CanutoJournal of Physical Chemistry B Washington v. 106, p. 47, p. 12317-12322, 2002Washington 2002Item 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
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A Monte carlo-quantum mechanics study of the solvent-induced spectral shift and the specific role of hydrogen bonds in the conformational equilibrium of furfural in waterRoberto Rivelino Kaline Rabelo Coutinho; Sylvio CanutoJournal of Physical Chemistry B Washington v. 106, p. 47, p. 12317-12322, 2002Washington 2002Item não circula. Consulte sua biblioteca.(Acessar) |
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9 |
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 |