Dalton Trans., 2020, Advance Article
DOI: 10.1039/D0DT01001D, Paper

Tsukasa Abe, Yoshihito Shiota, Shinobu Itoh, Kazunari Yoshizawa
DFT calculations are carried out to investigate the geometric effects of the supporting ligands in the relative energies of the (μ–η²:η²-peroxido)Cu^IICu^II complex 1 and the bis(μ-oxido)Cu^IIICu^III complex 2.
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