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Solvation dynamics in water: 2. Energy fluxes on excited- and ground-state surfaces

Autor
Rey, R.; Hynes, J.
Tipus d'activitat
Article en revista
Revista
Journal of physical chemistry B
Data de publicació
2016-11-03
Volum
120
Número
43
Pàgina inicial
11287
Pàgina final
11297
DOI
https://doi.org/10.1021/acs.jpcb.6b08965 Obrir en finestra nova
Repositori
http://hdl.handle.net/2117/101568 Obrir en finestra nova
URL
http://pubs.acs.org/doi/abs/10.1021/acs.jpcb.6b08965 Obrir en finestra nova
Resum
This series’ first installment introduced an approach to solvation dynamics focused on expressing the emission frequency shift (following electronic excitation of, and resulting charge change or redistribution in, a solute) in terms of energy fluxes, a work and power perspective. This approach, which had been previously exploited for rotational and vibrational excitation-induced energy flow, has the novel advantage of providing a quantitative view and understanding of the molecular-level mecha...
Citació
Rey, R., Hynes, J. Solvation dynamics in water: 2. Energy fluxes on excited- and ground-state surfaces. "Journal of physical chemistry B", 3 Novembre 2016, vol. 120, núm. 43, p. 11287-11297.
Paraules clau
Energy transfer, Frequency shift, Ion hydration, Librations, Solvent relaxation
Grup de recerca
SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity

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