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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.
Citation:
N. G. Lebedev, “Quantum and chemical investigation of electronic structure of carbon nanobads”, Vestnik Volgogradskogo gosudarstvennogo universiteta. Seriya 1. Mathematica. Physica, 2014, no. 6(25), 53–59
Linking options:
https://www.mathnet.ru/eng/vvgum30 https://www.mathnet.ru/eng/vvgum/y2014/i6/p53
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Abstract page: | 118 | Full-text PDF : | 48 | References: | 28 |
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