Journal
JOURNAL OF COMPUTATIONAL CHEMISTRY
Volume 40, Issue 9, Pages 966-970Publisher
WILEY
DOI: 10.1002/jcc.25728
Keywords
fluxional bonds; AdNDP; bonding patterns; structures; first-principles theory
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Funding
- National Natural Science Foundation of China [21720102006]
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Based on detailed bonding analyses on the fluxional behaviors of planar B-19(-), tubular Ta@B-20(-), and cage-like B-39(-), we propose the concept of fluxional bonds in boron nanoclusters as an extension of the classical localized bonds and delocalized bonds in chemistry. (c) 2018 Wiley Periodicals, Inc.
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