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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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| 出版年: | Bioinorg Chem Appl |
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| 主要な著者: | , , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
Hindawi
2020
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| 主題: | |
| オンライン･アクセス: | 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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