Investigation of the optical spectra of barium-zinc (aluminum) fluoroborates and barium-zinc fluorocarbonate from first principles
The Raman scattering, infrared absorption, and reflection spectra of hexagonal non-centrosymmetric BaZnBO3F and BaAlBO3F2 and centrosymmetric BaZn3BO3F2 and BaZnCO3F2 are calculated using the standard procedures of the CRYSTAL package with the basis of localized orbitals and the B3LYP hybrid functio...
Published in: | Symmetry Vol. 15, № 8. P. 1504 (1-13) |
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Main Author: | Zhuravlev, Yurii N. |
Other Authors: | Atuchin, Victor V. |
Format: | Article |
Language: | English |
Subjects: | |
Online Access: | http://vital.lib.tsu.ru/vital/access/manager/Repository/koha:001133166 Перейти в каталог НБ ТГУ |
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