Predicting Mössbauer Parameters of Nonheme Diiron Complexes with Density Functional Theory
Author:
Affiliation:
1. Chemistry Division, Energy & Photon Sciences Directorate, Brookhaven National Laboratory, Upton, New York 11973-5000, United States
2. Biology Department, Brookhaven National Laboratory, Upton, New York 11973-5000, United States
Funder
Basic Energy Sciences
Brookhaven National Laboratory
Publisher
American Chemical Society (ACS)
Subject
Inorganic Chemistry,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.inorgchem.3c00969
Reference98 articles.
1. O2 Activation by Non-Heme Thiolate-Based Dinuclear Fe Complexes
2. Dioxygen Activation by Nonheme Diiron Enzymes: Diverse Dioxygen Adducts, High-Valent Intermediates, and Related Model Complexes
3. O2 Activation by Non-Heme Iron Enzymes
4. Mechanisms of Cytochrome P450-Catalyzed Oxidations
5. Heme and Nonheme High-Valent Iron and Manganese Oxo Cores in Biological and Abiological Oxidation Reactions
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