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| Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
|---|---|---|---|
| 11 |
Material Type: Article
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Comparison of polarizable continuum model and quantum mechanics/molecular mechanics solute electronic polarization study of the optical and magnetic properties of diazines in waterVinícius Manzoni Marcelo L Lyra; Sylvio Canuto; Kaline CoutinhoTHE JOURNAL OF CHEMICAL PHYSICS Lancaster v.135, n. 14, p. 144103, out.2011Lancaster 2011Online access |
| 12 |
Material Type: Article
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Comparison of polarizable continuum model and quantum mechanics/molecular mechanics solute electronic polarization study of the optical and magnetic properties of diazines in waterVinícius Manzoni Marcelo L Lyra; Sylvio Canuto; Kaline CoutinhoTHE JOURNAL OF CHEMICAL PHYSICS Lancaster v.135, n. 14, p. 144103, out.2011Lancaster 2011Online access |
| 13 |
Material Type: Article
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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 2020Online access |
| 14 |
Material Type: Article
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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 2000Online access |
| 15 |
Material Type: Article
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An efficient quantum mechanical/molecular mechanics Monte Carlo simulation of liquid waterWillian R Rocha Kaline Rabelo Coutinho; Sylvio Roberto Accioly Canuto; Wagner B de AlmeidaChemical Physics Letters Amsterdam v. 335, n. 1-2, p. 127-133, 2001Amsterdam 2001Online access |
| 16 |
Material Type: Article
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A Monte Carlo-quantum mechanics study of the spectroscopic properties of molecules in solutionKaline Rabelo Coutinho N Saavedra; A Serrano; Sylvio CanutoJournal of Molecular Structure-Theochem Amsterdam v. 539, p. 171-179, 2001Amsterdam 2001Online access |
| 17 |
Material Type: Article
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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 2003Online access |
| 18 |
Material Type: Article
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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 2005Online access |
| 19 |
Material Type: Article
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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 2005Check holdings(GetIt) |
| 20 |
Material Type: Article
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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 2008Online access |
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