Spin‐inversion mechanisms in O 2 binding to a model heme complex revisited by density function theory calculations
Author:
Affiliation:
1. Department of Chemistry Saitama University, Shimo‐Okubo 255, Sakura‐ku Saitama City Saitama 338‐8570 Japan
2. Instituteof Catalysis Hokkaido University, Kita 21, Nishi 10, Kita‐ku Sapporo Hokkaido 001‐0021 Japan
Funder
Kakenhi, Japan
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26159
Reference50 articles.
1. Heme: From quantum spin crossover to oxygen manager of life
2. Lessons on O2 and NO bonding to heme from ab initio multireference/multiconfiguration and DFT calculations
3. Spin-Orbit Coupling in Enzymatic Reactions and the Role of Spin in Biochemistry
4. Spin-dependent mechanism for diatomic ligand binding to heme
5. How O2 Binds to Heme
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