Thermal stability of benzorods: Molecular-dynamics simulations

2005-12-01
Malcıoğlu, Osman Barış
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Thermal stability of benzorods 2C6-20C6, which are obtained by stacking n (n=2-20) dehydrogenated benzene, have been investigated by molecular-dynamics simulations. It has been found that these structures assume a geometrical form depending on the number of dehydrogenated benzene layers, and they are stable under heat treatment up to elevated temperatures with a dependence on length.
Physical and Theoretical Chemistry, Spectroscopy, Materials Chemistry, Computer Graphics and Computer-Aided Design
https://hdl.handle.net/11511/39808
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
Department of Physics, Article

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Citation Formats
O. B. Malcıoğlu, “Thermal stability of benzorods: Molecular-dynamics simulations,” JOURNAL OF MOLECULAR GRAPHICS & MODELLING, pp. 213–218, 2005, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/39808.
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