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Dynamics in hydrogen bonded liquids: water and alcohols

Autor
Guardia, E.; Marti, J.; Padro, J.; Saiz, L.; Komolkin, A.
Tipus d'activitat
Article en revista
Revista
Journal of molecular liquids
Data de publicació
2002-04
Volum
96-97
Pàgina inicial
3
Pàgina final
17
DOI
https://doi.org/10.1016/S0167-7322(01)00342-7 Obrir en finestra nova
URL
https://www.sciencedirect.com/science/article/pii/S0167732201003427?via%3Dihub Obrir en finestra nova
Resum
Molecular dynamics (MD) has been revealed as a powerful tool to investigate the structure and dynamics of hydrogen bonded liquids. This paper reviews recent works in which MD simulations have been used to study the influence of hydrogen bonding on different dynamic properties of liquid water and alcohols. The analysed properties include intermolecular vibrations, self-diffusion coefficients and reorientational correlation times. Finally, we present a MD study of the translational and reorientati...
Grup de recerca
CEBIM - Centre de Biotecnologia Molecular
SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity

Participants