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Conformational stability of furfural in aqueous solution: the role of hydrogen bonding

The importance of hydration on the equilibrium involving internal rotation around carbon-carbon single bondis investigated for the furfural molecule dissolved in water. To analyze the solvent effects in stabilizing anypreferred conformation of furfural, we perform Monte Carlo (MC) NPT simulations co...

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Publié dans:Brazilian Journal of Physics
Auteurs principaux: Roberto Rivelino, Sylvio Canuto, Kaline Coutinho
Format: Artigo
Langue:Inglês
Publié: Sociedade Brasileira de Física 2004
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Accès en ligne:https://www.redalyc.org/articulo.oa?id=46434111
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