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Structural Features of Y(2)O(2)SO(4) via DFT Calculations of Electronic and Vibrational Properties

The traditional way for determination of molecular groups structure in crystals is the X-Ray diffraction analysis and it is based on an estimation of the interatomic distances. Here, we report the analysis of structural units in Y(2)O(2)SO(4) using density functional theory calculations of electroni...

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Detalles Bibliográficos
Autores principales:	Oreshonkov, Aleksandr S., Denisenko, Yuriy G.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8231280/ https://www.ncbi.nlm.nih.gov/pubmed/34208415 http://dx.doi.org/10.3390/ma14123246

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