Carregant...
Carregant...

Vés al contingut (premeu Retorn)

Ultrafast energy transfer from the intramolecular bending vibration to librations in liquid water

Autor
Ingrosso, F.; Rey, R.; Elsaesser, T.; Hynes, J.
Tipus d'activitat
Article en revista
Revista
Journal of physical chemistry A
Data de publicació
2009-06-18
Volum
113
Número
24
Pàgina inicial
6657
Pàgina final
6665
DOI
https://doi.org/10.1021/jp9022713 Obrir en finestra nova
Repositori
http://hdl.handle.net/2117/6208 Obrir en finestra nova
URL
http://pubs.acs.org/doi/full/10.1021/jp9022713 Obrir en finestra nova
Resum
A theoretical study of the water bend-to-libration energy transfer in liquid H2O has been performed by means of nonequilibrium classical molecular dynamics computer simulations. Attention has been focused on the time scale and mechanism of the decay of the fundamental H2O bend vibration and the related issue of the decay of water librational (hindered rotational) excitations, including the important role of that for the excited molecule itself. The time scales found are 270 fs for the decay of t...
Citació
Ingrosso, F. [et al.]. Ultrafast energy transfer from the intramolecular bending vibration to librations in liquid water. "Journal of physical chemistry A", 18 Juny 2009, vol. 113, núm. 24, p. 6657-6665.
Grup de recerca
SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity

Participants

  • Ingrosso, Francesca  (autor)
  • Rey Oriol, Rosendo  (autor)
  • Elsaesser, Thomas  (autor)
  • Hynes, James T.  (autor)