- Tytuł:
- Role of Inertial Effects in Electron Transfer Kinetics
- Autorzy:
- Gajdek, P.
- Powiązania:
- https://bibliotekanauki.pl/articles/1945438.pdf
- Data publikacji:
- 1996-05
- Wydawca:
- Polska Akademia Nauk. Instytut Fizyki PAN
- Tematy:
-
82.20.-w
82.20.Pm - Opis:
- The electron transfer rates at the steady state are evaluated in terms of the Gaussian wave packet motion on free energy curves in the two- and three-surface models in the presence of inertial effects. The autocorrelation functions of the solvent polarization coordinate are fitted to the results of recent molecular dynamics simulations. It is found that the inertial effects are particularly important for the electron transfer processes in acetonitrile and water. They constitute an impeding factor in the wave packet motion. The neglect of the inertial part of the solvent autocorrelation function gives underestimation of the electron transfer rate coefficient.
- Źródło:
-
Acta Physica Polonica A; 1996, 89, 5-6; 727-734
0587-4246
1898-794X - Pojawia się w:
- Acta Physica Polonica A
- Dostawca treści:
- Biblioteka Nauki
Artykuł