Quantum and chemical investigation of electronic structure of carbon nanobads
Автор: Lebedev Nikolay Gennadyevich
Журнал: Математическая физика и компьютерное моделирование @mpcm-jvolsu
Рубрика: Физика молекул и излучений
Статья в выпуске: 6 (25), 2014 года.
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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.
Carbon nanotubes, fullerenes, semi-empirical methods, energy and geometric characteristics, nanobuds
Короткий адрес: https://sciup.org/14968970
IDR: 14968970 | DOI: 10.15688/jvolsu1.2014.6.5