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