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...
Uloženo v:
| Vydáno v: | Brazilian Journal of Physics |
|---|---|
| Hlavní autoři: | , , |
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
Sociedade Brasileira de Física
2004
|
| Témata: | |
| On-line přístup: | https://www.redalyc.org/articulo.oa?id=46434111 |
| Tagy: |
Žádné tagy, Buďte první, kdo vytvoří štítek k tomuto záznamu!
|