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DFT Fe a3 –O/O–O Vibrational Frequency Calculations over Catalytic Reaction Cycle States in the Dinuclear Center of Cytochrome c Oxidase

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Bibliographic Details
Published in:Inorganic chemistry 2019-10, Vol.58 (20), p.13933-13944
Main Authors: Du, Wen-Ge Han, Götz, Andreas W., Noodleman, Louis
Format: Article
Language:English
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ISSN:0020-1669
1520-510X
DOI:10.1021/acs.inorgchem.9b01840