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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New developments in Monte Carlo quantum mechanics methodology: the solvatochromism of beta-carotene in different solventsSylvio Canuto Kaline Rabelo Coutinho; D TrzesniakAdvances in Quantum Chemistry San Diego v. 41, p. 161-182, 2002San Diego 2002Item não circula. Consulte sua biblioteca.(Acessar) |
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2 |
Material Type: Artigo
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New developments in Monte Carlo quantum mechanics methodology: the solvatochromism of beta-carotene in different solventsSylvio Canuto Kaline Rabelo Coutinho; D TrzesniakAdvances in Quantum Chemistry San Diego v. 41, p. 161-182, 2002San Diego 2002Item não circula. Consulte sua biblioteca.(Acessar) |
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3 |
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 |
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4 |
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 |
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5 |
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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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: Dissertação de Mestrado
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Estudo clássico-quântico de ligações de hidrogênio em meio líquido : piridina em solução aquosaFileti, Thaciana Valentina MalaspinaBiblioteca Digital de Teses e Dissertações da USP; Universidade de São Paulo; Instituto de Física 2002-07-02Acesso online |
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8 |
Material Type: Artigo de Congresso
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Solvents as explicit liquids using a sequential Monte Carlo-Quantum Mechanics methodologySylvio Canuto Kaline Rabelo Coutinho; Sanibel Symposium (43. 2003 St. Augustine)Program, Abstracts, List of Participants Gainesville, Fl : University of Florida, 2003Gainesville, Fl University of Florida 2003Item não circula. Consulte sua biblioteca.(Acessar) |
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9 |
Material Type: Artigo
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Electronic polarization of liquid water converged Monte-Carlo quantum mechanics results for the multipole momentsKaline Rabelo Coutinho R C Guedes; B J Costa Cabral; Sylvio CanutoChemical Physics Letters Amsterdam v. 369, n. 3-4, p. 345-353, 2003Amsterdam 2003Acesso online |
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10 |
Material Type: Artigo
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Electronic polarization of liquid water converged Monte-Carlo quantum mechanics results for the multipole momentsKaline Rabelo Coutinho R C Guedes; B J Costa Cabral; Sylvio CanutoChemical Physics Letters Amsterdam v. 369, n. 3-4, p. 345-353, 2003Amsterdam 2003Acesso online |