Articles with "nitrogen central" as a keyword



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

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Published in 2022 at "Frontiers in Chemistry"

DOI: 10.3389/fchem.2022.863408

Abstract: 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 (BF3(BN) n F4n+1)– formula (for n = 1-10,13,18-20) containing alternately aligned boron… read more here.

Keywords: aligned boron; superhalogen anions; nitrogen central; alternately aligned ... See more keywords