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Published in 2019 at "Journal of Cluster Science"
DOI: 10.1007/s10876-019-01521-y
Abstract: Inspired by recent discoveries of alkaline-earth octacarbonyls and based on extensive first-principles theory investigations, we predict herein the possibility of perfect cube-like alkali octacarbonyls M(CO)8− (Oh, 3A1g) (1) (M = K, Rb) which satisfy the 18-electron rule…
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Keywords:
like alkali;
alkali octacarbonyls;
electron rule;
cube like ... See more keywords