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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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| Publicat a: | Bioinorg Chem Appl |
|---|---|
| Autors principals: | , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
Hindawi
2020
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| Matèries: | |
| Accés en línia: | 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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