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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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Bibliographic Details
Published in:Molecules
Main Authors: Ciancaleoni, Gianluca, Nunzi, Francesca, Belpassi, Leonardo
Format: Artigo
Language:Inglês
Published: MDPI 2020
Subjects:
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC7024339/
https://ncbi.nlm.nih.gov/pubmed/31940866
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules25020300
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