Articles with "qtaim topological" as a keyword



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

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Published in 2019 at "RSC Advances"

DOI: 10.1039/c9ra01403a

Abstract: The QTAIM topological analysis of the calculated electron densities in oxyanionic crystals revealed the covalency criteria for metal–oxygen and hydrogen bonds. read more here.

Keywords: topological analysis; oxyanionic crystals; nature chemical; qtaim topological ... See more keywords