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Relativistic Effects on NMR Parameters of Halogen-Bonded Complexes

Relativistic effects are found to be important for the estimation of NMR parameters in halogen-bonded complexes, mainly when they involve the heavier elements, iodine and astatine. A detailed study of 60 binary complexes formed between dihalogen molecules (XY with X, Y = F, Cl, Br, I and At) and fou...

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Detalles Bibliográficos
Autores principales:	Alkorta, Ibon, Elguero, José, Yáñez, Manuel, Mó, Otilia, Montero-Campillo, M. Merced
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2019
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6930553/ https://www.ncbi.nlm.nih.gov/pubmed/31810199 http://dx.doi.org/10.3390/molecules24234399

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