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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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 2001Acesso online |
2 |
Material Type: Artigo
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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 2001Acesso online |
3 |
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 |
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 |