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Published in 2021 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-021-04980-1
Abstract: In this study, we provide a theoretical evaluation of relative stabilities and electronic structure for [BnXn]2− clusters (n = 10, 12, 13, 14, 15, 16). Structural and electronic characteristics of [BnXn]2− clusters are examined by comparison with…
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Keywords:
bnxn clusters;
substituent effects;
electronic structure;
relative stabilities ... See more keywords