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The nature of the chemical bond in oxyanionic crystals based on QTAIM topological analysis of electron densities

The nature of the chemical bond in 31 oxyanionic crystals was analyzed using ab initio calculations and quantum theory of atoms in molecules (QTAIM). The QTAIM topological analysis of the calculated electron densities in oxyanionic crystals revealed that some of the metal–oxygen, metal⋯metal, metal–...

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Detalles Bibliográficos
Autores principales:	Korabel'nikov, Dmitry V., Zhuravlev, Yuriy N.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2019
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9063545/ https://www.ncbi.nlm.nih.gov/pubmed/35516991 http://dx.doi.org/10.1039/c9ra01403a

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