Molecular dynamics simulation of vibrational energy relaxation of highly excited molecules in...

Autor: Heidelbach, C., Vikhrenko, V. S., Schwarzer, D., Fedchenia, I.I., Schroeder, J.
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Zdroj: Journal of Chemical Physics; 11/1/1999, Vol. 111 Issue 17, p8022, 12p
Abstrakt: Part III. Discusses the use of the expressions for vibrational energy relaxation (VER) rates of polyatomic molecules in terms of equilibrium capacity time correlation function (TCF) for the study of VER of azulene in carbon dioxide at low and high pressure. Overview on the molecular dynamics simulation; Mode specific analysis of azulene dynamics in fluid.
Databáze: Complementary Index