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Molecular dynamics study of the fullerene - cholesterol mixture cluster
|Przemysław Raczyński 1, Aleksander Dawid , Zygmunt Gburski|
1. University of Silesia, Katowice, Poland
Molecular dynamics (MD) studies are presented of the cluster composed of the fullerene and cholesterol molecules mixture. We have investigated several dynamical quantities of fullerene and cholesterol as a function of temperature and their concentration in the cluster. The radial distribution function, mean square displacement and diffusion coefficient of both fullerene and cholesterol in the mixture have been calculated. We have shown that the dynamics of cholesterol molecules is strongly modified by the presence of the strong fullerene-cholesterol interaction potential.
Presentation: poster at E-MRS Fall Meeting 2004, Symposium H, by Przemysław Raczyński
See On-line Journal of E-MRS Fall Meeting 2004
Submitted: 2004-04-29 10:26 Revised: 2009-06-08 12:55