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Hydrogen vs. Halogen Bonds in 1-Halo-Closo-Carboranes

A theoretical study of the hydrogen bond (HB) and halogen bond (XB) complexes between 1-halo-closo-carboranes and hydrogen cyanide (NCH) as HB and XB probe has been carried out at the MP2 computational level. The energy results show that the HB complexes are more stable than the XBs for the same sys...

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Detalles Bibliográficos
Autores principales:	Alkorta, Ibon, Elguero, Jose, Oliva-Enrich, Josep M.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2020
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7254210/ https://www.ncbi.nlm.nih.gov/pubmed/32392865 http://dx.doi.org/10.3390/ma13092163

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