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Involvement of Arsenic Atom of AsF(3) in Five Pnicogen Bonds: Differences between X-ray Structure and Theoretical Models

Bonding within the AsF(3) crystal is analyzed via quantum chemical methods so as to identify and quantify the pnicogen bonds that are present. The structure of a finite crystal segment containing nine molecules is compared with that of a fully optimized cluster of the same size. The geometries are q...

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Detalles Bibliográficos
Autores principales:	Scheiner, Steve, Michalczyk, Mariusz, Zierkiewicz, Wiktor
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9572024/ https://www.ncbi.nlm.nih.gov/pubmed/36235021 http://dx.doi.org/10.3390/molecules27196486

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