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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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) |
2 |
Material Type: Artigo de Congresso
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A Monte Carlo - quantum mechanics study of the absorption spectrum of vitamin B12 (cyanocobalamin) in waterPaula Jaramillo Kaline Rabelo Coutinho; Sylvio Canuto; Escola Brasileira de Estrutura Eletrônica (12th 2010 Brasília, DF)ResumoSão Paulo SBF 2010Acesso online |
3 |
Material Type: Artigo
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Quantum mechanics meets scaling theory near the critical pointCarlos Bistafa Tárcius N Ramos; Kaline Rabelo Coutinho; Sylvio CanutoTheoretical Chemistry Accounts Berlin v. 139, Article number: 80, 2020Berlin 2020Acesso online |
4 |
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 |
5 |
Material Type: Artigo
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Electronic polarization in liquid acetonitrile a sequential Monte Carlo/quantum mechanics investigationRoberto Rivelino B J Costa Cabral; Kaline Rabelo Coutinho; Sylvio CanutoChemical Physics Letters v. 407, n. 1-3. p. 13-17, 2005Amsterdam 2005Acesso online |
6 |
Material Type: Artigo
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The dipole polarization of F-in aqueous solution. a sequential Monte Carlo/quantum mechanics studySylvio Canuto Kaline Rabelo Coutinho; P K MukherjeeAdvances in Quantum Chemistry v. 48, p. 141-150, 2005San Diego 2005Item não circula. Consulte sua biblioteca.(Acessar) |
7 |
Material Type: Artigo
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Electronic properties of liquid ammonia a sequential molecular dynamics/quantum mechanics approachTania S Almeida Kaline Rabelo Coutinho; Benedito J Costa Cabral; Sylvio CanutoJournal of Chemical Physics v. 128, n. 1, p. 014506/1-014506/9, 2008New York 2008Acesso online |
8 |
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 |
9 |
Material Type: Artigo
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The dipole polarization of F-in aqueous solution. a sequential Monte Carlo/quantum mechanics studySylvio Canuto Kaline Rabelo Coutinho; P K MukherjeeAdvances in Quantum Chemistry v. 48, p. 141-150, 2005San Diego 2005Item não circula. Consulte sua biblioteca.(Acessar) |
10 |
Material Type: Artigo
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Electronic polarization in liquid acetonitrile a sequential Monte Carlo/quantum mechanics investigationRoberto Rivelino B J Costa Cabral; Kaline Rabelo Coutinho; Sylvio CanutoChemical Physics Letters v. 407, n. 1-3. p. 13-17, 2005Amsterdam 2005Acesso online |