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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A Monte-Carlo quantum mechanical study of the solvachromism of pyrimidine in water and in carbon tetrachlorideKatia J de Almeida Kaline Rabelo Coutinho; Wagner B de Almeida; William R Rocha; Sylvio CanutoPhysical Chemistry Chemical Physics London v. 3, n. 9, p. 1583-1587, 2001London 2001Item não circula. Consulte sua biblioteca.(Acessar) |
2 |
Material Type: Artigo
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A Monte-Carlo quantum mechanical study of the solvachromism of pyrimidine in water and in carbon tetrachlorideKatia J de Almeida Kaline Rabelo Coutinho; Wagner B de Almeida; William R Rocha; Sylvio CanutoPhysical Chemistry Chemical Physics London v. 3, n. 9, p. 1583-1587, 2001London 2001Item não circula. Consulte sua biblioteca.(Acessar) |
3 |
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 |
4 |
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 |
5 |
Material Type: Tese de Doutorado
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Controle quântico ótimo: fundamentos, aplicações e extensões da teoria.Lisboa, Alexandre CoutinhoBiblioteca Digital de Teses e Dissertações da USP; Universidade de São Paulo; Escola Politécnica 2015-03-31Acesso online. A biblioteca também possui exemplares impressos. |
6 |
Material Type: Artigo
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Different structures give similar vibrational spectra the case of 'O'H' POT. −' in aqueous solutionPavlin D. Mitev Kersti Hermansson; Hans Agren; Philippe A Bopp; Jasmina Petreska; Ljupco Pejov; Kaline Rabelo CoutinhoJOURNAL OF CHEMICAL PHYSICS Uppsala v. 138, n. 6, p. 064503 , fev.2013Uppsala 2013Acesso online |
7 |
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 |
8 |
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 |
9 |
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 |
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 |