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Molecular dynamics simulation of the properties of homocysteine ultrathin layer covered carbon nanotube

Przemysław Raczyński ,  Zbigniew Dendzik ,  Aleksander Dawid ,  Zygmunt Gburski 

Institute of Physics, Silesian University, Uniwersytecka 4, Katowice 40007, Poland


Excessive of homocysteine in the human body is recently considered as a factor increasing the risk of the cardiovascular system diseases. The nanosystem composed of finite number of homocysteine molecules covered single walled carbon nanotube have been studied by MD technique. The translational and rotational velocity correlation functions and their Fourier transforms have been calculated for several temperatures. The qualitative interpretation of translational and reorientational dynamics of homocysteine molecules in such specific environment is presented.


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Presentation: Poster at E-MRS Fall Meeting 2007, Acta Materialia Gold Medal Workshop, by Przemysław Raczyński
See On-line Journal of E-MRS Fall Meeting 2007

Submitted: 2007-05-15 18:00
Revised:   2009-06-07 00:44