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 Br₄–Br₁₂, applying QTAIM dual-functional analysis (QTAIM-DFA). The asterisk (∗) emphasizes the existence of the bond critical point (BCP) on the interac...

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Detaylı Bibliyografya

Asıl Yazarlar:	Satoko Hayashi, Taro Nishide, Eiichiro Tanaka, Waro Nakanishi
Materyal Türü:	Artigo
Dil:	Inglês
Baskı/Yayın Bilgisi:	MDPI AG 2021-05-01
Seri Bilgileri:	Molecules
Konular:	ab initio calculations quantum theory of atoms-in-molecules (QTAIM) bromide structures
Online Erişim:	https://www.mdpi.com/1420-3049/26/10/2936
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