Raman Spectroscopy Of Fullerene-Like Molecules Of Silicon Dioxide (SiO2)N(H2O)N/2
Journal Title: Фізика і хімія твердого тіла - Year 2016, Vol 17, Issue 3
Abstract
The Raman spectra of monosilicic, disilicic acid molecules, tetra- and pentasilicic acid molecules with cyclic structure, cage-like okta- and dekasilicic asid molecules, and of fullerene-like molecule (SiO<sub>2</sub>)<sub>N</sub>(H<sub>2</sub>O)<sub>N/2</sub> have been calculated using density functional theory method (exchange-correlation functional B3LYP and basis set 6- 31G (d, p)) and assignment of frequencies in conformity with the shape fluctuations have been executed.
Authors and Affiliations
O. V. Filonenko
Keywords
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- EP ID EP248824
- DOI 10.15330/pcss.17.3.401-406
- Views 41
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