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Superhalogen Anions Supported by the Systems Comprising Alternately Aligned Boron and Nitrogen Central Atoms

Using DFT/(B3LYP/wB97XD/B2PLYPD) and OVGF electronic structure methods with flexible atomic orbital basis sets, we examined the series of polynuclear superhalogen anions matching the (BF(3)(BN)( n )F(4n+1))(–) formula (for n = 1-10,13,18-20) containing alternately aligned boron and nitrogen central...

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Detalles Bibliográficos
Autores principales: Cyraniak, Adrianna, Faron, Dawid, Freza, Sylwia, Anusiewicz, Iwona, Skurski, Piotr
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9068874/
https://www.ncbi.nlm.nih.gov/pubmed/35529695
http://dx.doi.org/10.3389/fchem.2022.863408