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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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| Publicado en: | Brazilian Journal of Physics |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
Sociedade Brasileira de Física
2004
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| Assuntos: | |
| Acceso en liña: | https://www.redalyc.org/articulo.oa?id=46434111 |
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