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Vestnik Volgogradskogo gosudarstvennogo universiteta. Seriya 1. Mathematica. Physica, 2014 Issue 6(25), Pages 53–59 (Mi vvgum30)

Physics of molecules and radiations

Quantum and chemical investigation of electronic structure of carbon nanobads

N. G. Lebedev

Volgograd State University

Abstract: In this paper the simulation of the geometrical structure of the new composite 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.

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

UDC: 541.138
BBK: 24.5

DOI: 10.15688/jvolsu1.2014.6.5



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