High-level ab initio evidence of bipyramidal Cu 5 clusters as fluxional Jahn-Teller molecules.

Akexander O Mitrushchenkov,María Pilar de Lara-Castells

Chemphyschem : a European journal of chemical physics and physical chemistry(2023)

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摘要
The front cover artwork is provided by María Pilar de Lara-Castells, Head of the AbinitFot Group at IFF-CSIC (Madrid), Coordinator of the National Project "COSYES", and Chair of the COST Action CA21101 "COSY", and Alexander O. Tereshchenko Mitrushchenkov from the University Gustave Eiffel (France). The image shows the connection between the Janh-Teller effect featured by bypiramidal Cu5 clusters and the property of fluxionality. Cover design by Katarzyna Krupka. Read the full text of the Research Article at 10.1002/cphc.202300317.
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关键词
non-adiabatic effects, fluxional atomic metal clusters, Jahn-Teller effects, multireference ab initio perturbation theory, subnanometric catalysts
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