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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...
Gorde:
| Argitaratua izan da: | Brazilian Journal of Physics |
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| Egile Nagusiak: | , , |
| Formatua: | Artigo |
| Hizkuntza: | Inglês |
| Argitaratua: |
Sociedade Brasileira de Física
2004
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| Gaiak: | |
| Sarrera elektronikoa: | https://www.redalyc.org/articulo.oa?id=46434111 |
| Etiketak: |
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