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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Structure and electronic properties of hydrated mesityl oxide a sequential quantum mechanics/molecular mechanics approachMarcus V. A. Damasceno Kaline Coutinho; Benedito J. Costa CabralTHEORETICAL CHEMISTRY ACCOUNTS: THEORY, COMPUTATION, AND MODELING (THEORETICA CHIMICA ACTA) Berlin v.131, n.5, p. 1214, abr.2012Berlin 2012Acesso online |
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2 |
Material Type: Artigo
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Structure and electronic properties of hydrated mesityl oxide a sequential quantum mechanics/molecular mechanics approachMarcus V. A. Damasceno Kaline Coutinho; Benedito J. Costa CabralTHEORETICAL CHEMISTRY ACCOUNTS: THEORY, COMPUTATION, AND MODELING (THEORETICA CHIMICA ACTA) Berlin v.131, n.5, p. 1214, abr.2012Berlin 2012Acesso online |
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3 |
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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4 |
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 |
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5 |
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 |
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6 |
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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7 |
Material Type: Artigo
|
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 |
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8 |
Material Type: Artigo
|
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 |