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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Differential hydration of phenol and phenoxy radical and the energetics of the phenol O-H bond in solutionR C Guedes Kaline Rabelo Coutinho; B J Costa CabralJournal of Physical Chemistry B Washington v. 107. n. 18, p. 4304-4310, 2003Washington 2003Acesso online |
2 |
Material Type: Artigo
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Can larger dipoles solvate less? solute-solvent hydrogen bond and the differential solvation of phenol and phenoxyKaline Rabelo Coutinho B J C Cabral; Sylvio CanutoChemical Physics Letters v. 399, n. 4-6, p. 534-538, 2004Amsterdam 2004Acesso online |
3 |
Material Type: Artigo
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Special issue special issue dedicated to sylvio canutoKaline Coutinho Benedito J Costa Cabral; Rogério CustodioInternational Journal of Quantum Chemistry New York v.111, n.7-8, p. 1249-1250, jun-jul.2011New York 2011Acesso online |
4 |
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 |
5 |
Material Type: Artigo
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Differential hydration of phenol and phenoxy radical and the energetics of the phenol O-H bond in solutionR C Guedes Kaline Rabelo Coutinho; B J Costa CabralJournal of Physical Chemistry B Washington v. 107. n. 18, p. 4304-4310, 2003Washington 2003Acesso online |
6 |
Material Type: Artigo
|
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Can larger dipoles solvate less? solute-solvent hydrogen bond and the differential solvation of phenol and phenoxyKaline Rabelo Coutinho B J C Cabral; Sylvio CanutoChemical Physics Letters v. 399, n. 4-6, p. 534-538, 2004Amsterdam 2004Acesso online |
7 |
Material Type: Artigo
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Electronic properties of liquid hydrogen fluoride: A sequential quantum mechanical/Born–Oppenheimer molecular dynamics approachBenedito J Costa Cabral Kaline Rabelo Coutinho; Sylvio CanutoChemical Physics Letters V.495, N.1-3, 2010Amsterdan 2010Acesso online |
8 |
Material Type: Artigo
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Special issue special issue dedicated to sylvio canutoKaline Coutinho Benedito J Costa Cabral; Rogério CustodioInternational Journal of Quantum Chemistry New York v.111, n.7-8, p. 1249-1250, jun-jul.2011New York 2011Acesso online |
9 |
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 |
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 |