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1. All-metal Baird aromaticity.

Author

Chen, Dandan, Szczepanik, Dariusz W., Zhu, Jun, and Solà, Miquel

Subjects
*AROMATICITY, *METAL clusters, *DENSITY functional theory, *MOLECULAR orbitals
Abstract

Baird's rule has been applied to a large scope of organic molecular systems for rationalizing the aromaticity reversal in the lowest-lying triplet state. In this study, we demonstrate that Baird's rule can also be extended to all-metal systems with σ- and π-aromaticity. [ABSTRACT FROM AUTHOR]

Published
2020
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