Important components for accurate hyperfine coupling constants: electron correlation, dynamic contributions, and solvation effects
Author:
Affiliation:
1. Chair of Theoretical Chemistry, Department of Chemistry, University of Munich (LMU), Munich, Germany
Funder
Studienstiftung des Deutschen Volkes
“Deutsche Forschungsgemeinschaft”
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
https://www.tandfonline.com/doi/pdf/10.1080/00268976.2020.1772515
Reference103 articles.
1. EPR techniques for studying radical enzymes
2. Use of Electron Paramagnetic Resonance To Solve Biochemical Problems
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5. A Critical Validation of Density Functional and Coupled-Cluster Approaches for the Calculation of EPR Hyperfine Coupling Constants in Transition Metal Complexes
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