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Charge Displacement Analysis—A Tool to Theoretically Characterize the Charge Transfer Contribution of Halogen Bonds

Theoretical bonding analysis is of prime importance for the deep understanding of the various chemical interactions, covalent or not. Among the various methods that have been developed in the last decades, the analysis of the Charge Displacement function (CD) demonstrated to be useful to reveal the...

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Detalles Bibliográficos
Autores principales: Ciancaleoni, Gianluca, Nunzi, Francesca, Belpassi, Leonardo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7024339/
https://www.ncbi.nlm.nih.gov/pubmed/31940866
http://dx.doi.org/10.3390/molecules25020300