Comparison of Density Functional and Correlated Wave Function Methods for the Prediction of Cu(II) Hyperfine Coupling Constants
Author:
Affiliation:
1. Aix-Marseille Université CNRS, iSm2 Marseille France
2. Max-Planck-Institut für Kohlenforschung Kaiser-Wilhelm-Platz 1 45470 Mülheim an der Ruhr Germany
Funder
Agence Nationale de la Recherche
Deutsche Forschungsgemeinschaft
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Atomic and Molecular Physics, and Optics
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/cphc.202000649
Reference93 articles.
1. Multicopper Oxidases and Oxygenases
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4. Copper Active Sites in Biology
5. Determination of formal redox potentials in aqueous solution of copper(II) complexes with ligands having nitrogen and oxygen donor atoms and comparison with their EPR and UV–Vis spectral features
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