期刊
COORDINATION CHEMISTRY REVIEWS
卷 253, 期 5-6, 页码 723-753出版社
ELSEVIER SCIENCE SA
DOI: 10.1016/j.ccr.2007.11.018
关键词
Oxytyrosinase; Oxyhemocyanin; C-H bond activation; Aromatic hydroxylation; mu-eta(2):eta(2)-Peroxo dicopper; Bis(mu-oxo) dicopper; Non-dynamical electron correlation; Dynamical electron correlation; Density functional theory
资金
- National Science Foundation [CHE-0610183]
The utility of various computational models for characterizing the structure. energetics, reactivity, and spectroscopy of hare and supported Cu2O22+ cores is reviewed. (C) 2008 Elsevier B.V. All rights reserved.
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