Lebedev N.G. Quantum and Chemical Investigation of Electronic Structure of Carbon Nanobads

Lebedev Nikolay Gennadyevich
 
Doctor of Physical and Mathematical Sciences, Professor, Department of Theoretical Physics and Wave Processes, Volgograd State University
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Prosp. Universitetsky, 100, 400062 Volgograd, Russian Federation
 
Abstract. In this paper the simulation of the geometrical structure of the new compo-
site materials based on carbon nanotubes and fullerene molecules – nanobads, was carried out. The quantum and chemical calculations of the electronic structure of nanobuds by semiempirical methods were realized, and the energy benefits of such structures were shown.

Key words: carbon nanotubes, fullerenes, nanobuds, semi-empirical methods, energy and geometric characteristics.

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Quantum and Chemical Investigation of Electronic Structure of Carbon Nanobads by Lebedev N.G. is licensed under a Creative Commons Attribution 4.0 International License.

Citation in English: Science Journal of Volgograd State University. Mathematics. Physics. №6 (25) 2014 pp. 53-59
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