Front Cover: High‐level ab initio evidence of bipyramidal Cu5 clusters as fluxional Jahn‐Teller molecules (ChemPhysChem 19/2023)

ChemPhysChem(2023)

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摘要
The Front Cover shows a two-dimensional representation of a conical intersection causing a Jahn-Teller distortion that removes the degeneracy of two electronic states. The lowest-energy potential energy surface features close-lying multi minima and saddle points for bypiramidal Cu5 structures. As a result, Cu5 clusters exhibit fluxional motion, a characteristic enhancing their performance as catalysts. Cover design by Katarzyna Krupka. More information can be found in the Research Article by Alexander O. Mitrushchenkov and María Pilar de Lara-Castells.
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关键词
bipyramidal cu<sub>5</sub>,ab initio evidence
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