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The Distance between Minima of Electron Density and Electrostatic Potential as a Measure of Halogen Bond Strength

In this study, we present results of a detailed topological analysis of electron density (ED) of 145 halogen-bonded complexes formed by various fluorine-, chlorine-, bromine-, and iodine-containing compounds with trimethylphosphine oxide, Me(3)PO. To characterize the halogen bond (XB) strength, we u...

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Detalles Bibliográficos
Autores principales:	Chakalov, Edem R., Tupikina, Elena Yu., Ivanov, Daniil M., Bartashevich, Ekaterina V., Tolstoy, Peter M.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9369751/ https://www.ncbi.nlm.nih.gov/pubmed/35956799 http://dx.doi.org/10.3390/molecules27154848

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