Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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Material Type: Artigo
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Reaction mechanism and tautomeric equilibrium of 2-mercaptopyrimidine in the gas phase and in aqueous solution a combined Monte Carlo and quantum mechanics studyMaria Carolina P Lima Kaline Rabelo Coutinho; Sylvio Canuto; William R RochaJournal of Physical Chemistry A Washington v. 110, n. 22, p. 7253-7261, 2006Washington 2006Acesso online |
2 |
Material Type: Artigo
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Polarization and spectral shift of benzophenone in supercritical waterTertius Lima Fonseca Herbert de Castro Georg; Kaline Rabelo Coutinho; Sylvio CanutoJournal of Physical Chemistry A v. 113, n. 17, p. 5112-5118, 2009Washington, DC 2009Acesso online |
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Material Type: Artigo
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A first-principles approach to the dynamics and electronic properties of p-nitroaniline in waterBenedito J. Costa Cabral Kalline Rabelo Coutinho; Sylvio Roberto Accioly CanutoJournal of Physical Chemistry A Washington DC v. 120, n. 22, p. 3878-3887, jun.2016Washington DC 2016Item não circula. Consulte sua biblioteca.(Acessar) |
4 |
Material Type: Artigo
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Reaction mechanism and tautomeric equilibrium of 2-mercaptopyrimidine in the gas phase and in aqueous solution a combined Monte Carlo and quantum mechanics studyMaria Carolina P Lima Kaline Rabelo Coutinho; Sylvio Canuto; William R RochaJournal of Physical Chemistry A Washington v. 110, n. 22, p. 7253-7261, 2006Washington 2006Acesso online |
5 |
Material Type: Artigo
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Polarization and spectral shift of benzophenone in supercritical waterTertius Lima Fonseca Herbert de Castro Georg; Kaline Rabelo Coutinho; Sylvio CanutoJournal of Physical Chemistry A v. 113, n. 17, p. 5112-5118, 2009Washington, DC 2009Acesso online |
6 |
Material Type: Artigo
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Solvent effects on the energetics of the phenol O-H bond differential solvation of phenol and phenoxy radical in benzene and acetonitrileR C Guedes Kaline Rabelo Coutinho; B J Costa Cabral; Sylvio Canuto; C F Correia; R M Borges dos Santos; J A Martinho SimõesJournal of Physical Chemistry A v. 107, n. 43, p. 9197-9207, 2003Washington, DC 2003Acesso online |
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Material Type: Artigo
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Monte carlo–quantum mechanics study of magnetic properties of hydrogen peroxide in liquid waterMaria Cristina Caputo Patricio F Provasi; Lucia Benitez; Herbert C Georg; Kaline Rabelo Coutinho; Sylvio Roberto Accioly CanutoJOURNAL OF PHYSICAL CHEMISTRY A Washington v. 118, n. 32, p. 6239-6247, ago.2014Washington 2014Acesso online |
8 |
Material Type: Artigo
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Solvent effects on the energetics of the phenol O-H bond differential solvation of phenol and phenoxy radical in benzene and acetonitrileR C Guedes Kaline Rabelo Coutinho; B J Costa Cabral; Sylvio Canuto; C F Correia; R M Borges dos Santos; J A Martinho SimõesJournal of Physical Chemistry A v. 107, n. 43, p. 9197-9207, 2003Washington, DC 2003Acesso online |