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Intrinsic Dynamic and Static Nature of Halogen Bonding in Neutral Polybromine Clusters, with the Structural Feature Elucidated by QTAIM Dual-Functional Analysis and MO Calculations

The intrinsic dynamic and static nature of noncovalent Br-∗-Br interactions in neutral polybromine clusters is elucidated for Br(4)–Br(12), applying QTAIM dual-functional analysis (QTAIM-DFA). The asterisk (∗) emphasizes the existence of the bond critical point (BCP) on the interaction in question....

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Detalhes bibliográficos
Publicado no:Molecules
Main Authors: Hayashi, Satoko, Nishide, Taro, Tanaka, Eiichiro, Nakanishi, Waro
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI 2021
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC8157170/
https://ncbi.nlm.nih.gov/pubmed/34069291
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules26102936
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