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Is There a Single Ideal Parameter for Halogen‐Bonding‐Based Lewis Acidity?

Halogen‐bond donors (halogen‐based Lewis acids) have now found various applications in diverse fields of chemistry. The goal of this study was to identify a parameter obtainable from a single DFT calculation that reliably describes halogen‐bonding strength (Lewis acidity). First, several DFT methods...

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Détails bibliographiques
Publié dans:Chemistry
Auteurs principaux: Engelage, Elric, Reinhard, Dominik, Huber, Stefan M.
Format: Artigo
Langue:Inglês
Publié: John Wiley and Sons Inc. 2020
Sujets:
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC7154672/
https://ncbi.nlm.nih.gov/pubmed/31943430
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/chem.201905273
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