Tug-of-war between classical and multicenter bonds in H-(Be)n-H species
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DOI: 10.1016/j.cplett.2018.03.044
Abstract: Abstract Quantum chemical calculations were performed for beryllium homocatenated compounds [H-(Be)n-H]. Global minimum structures were found using machine searches (Coalescence Kick method) with density functional theory. Chemical bonding analysis was performed with the Adaptive Natural… read more here.
Keywords: multicenter bonds; tug war; war classical; classical multicenter ... See more keywords