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Dynamic and Static Nature of Br(4)σ(4c–6e) and Se(2)Br(5)σ(7c–10e) in the Selenanthrene System and Related Species Elucidated by QTAIM Dual Functional Analysis with QC Calculations

The nature of Br(4)σ(4c–6e) of the (B)Br-∗-(A)Br-∗-(A)Br-∗-(B)Br form is elucidated for SeC(12)H(8)(Br)SeBr---Br-Br---BrSe(Br)C(12)H(8)Se, the selenanthrene system, and the models with QTAIM dual functional analysis (QTAIM-DFA). Asterisks (∗) are employed to emphasize the existence of bond critical...

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Detalhes bibliográficos
Publicado no:Bioinorg Chem Appl
Main Authors: Hayashi, Satoko, Nishide, Taro, Nakanishi, Waro
Formato: Artigo
Idioma:Inglês
Publicado em: Hindawi 2020
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7396019/
https://ncbi.nlm.nih.gov/pubmed/32774351
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1155/2020/2901439
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