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Tytuł artykułu
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Wybrane pełne teksty z tego czasopisma
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Warianty tytułu
Konferencja
E-MRS 2004 Fall Meeting Warsaw, Poland , 6-10 September,2004
Języki publikacji
Abstrakty
Using the spherically averaged Girifalco potential model of interacting C-60 fullerenes, the relaxation processes of hydrogen cyanide molecules embedded in a fullerene host has been simulated by the molecular dynamics method. The dynamics of molecules in the system has been studied by inspecting the calculated dipolar absorption spectrum and Arrheniu-like plot. Moreover, the translational and rotational correlation functions of HCN in fullerene environments have been calculated. Comparison with the bulk HCN systems at several temperatures was made.
Słowa kluczowe
Wydawca
Czasopismo
Rocznik
Tom
Strony
491--499
Opis fizyczny
Bibliogr. 13 poz.
Twórcy
autor
- Department of Electrotechnology, Division of Computer Methods, Silesian University of Technology, Katowice, Poland
- Institute of Physics, University of Silesia, Katowice, Poland
autor
- Department of Electrotechnology, Division of Computer Methods, Silesian University of Technology, Katowice, Poland
autor
- Department of Electrotechnology, Division of Computer Methods, Silesian University of Technology, Katowice, Poland
Bibliografia
- [1] KROTO H.W., HEATH J.R., O’BRIEN S.C., CURL R.F., SMALLEY R.E., Nature, 318 (1985), 162.
- [2] HERNEIT W, Phys. Rev. A, 65 (2002), 032322.
- [3] DRESSELHAUS M.S., DRESSELHAUS G., EKLUND P.C., Science of Fullerenes and Carbon Nanotubes, Academic Press, New York, 1996.
- [4] ALLEN M.P., TILDESLEY D.J., Computer Simulations of Liquids, Oxford University Press, Oxford, 1989.
- [5] HERZBERG G., Molecular Spectra and Molecular Structure, Vol. II, p. 173, D. van Nostrand, New York, 1966.
- [6] GIRIFALCO L.A., J. Phys. Chem., 95 (1992), 5370.
- [7] BRETON J., GONZALES-PLATAS J., GIRARDET C., J. Chem. Phys., 99 (1993), 4036.
- [8] MARTÍ J., GUÀRDIA E., PADRÓ J.A., J. Chem. Phys., 101, (1994), 10883.
- [9] PRESS W.H., FLANNERY B.P., TEUKOLSKY S.A., VETTERLING W.T., Numerical Recipes in Fortran, Cambridge University Press, Cambridge, 1992.
- [10] JONSCHER A.K., Dielectric Relaxation in Solids, Chelsea Dielectrics, London, 1983.
- [11] HAVRILIAK S., NEGAMI S., Polymer 8 (1967), 161.
- [12] DISSADO L.A., HILL R.M., Chem. Phys., 111 (1987), 193.
- [13] FRÖHLICH H., Theory of Dielectrics, Oxford University Press, London, 1958.
Typ dokumentu
Bibliografia
Identyfikator YADDA
bwmeta1.element.baztech-article-BPW7-0002-0047