Hybrid density functional study of ligand coordination effects on the magnetic couplings and the dioxygen binding of the models of hemocyanin
Article first published online: 2 AUG 2007
Copyright © 2007 Wiley Periodicals, Inc.
International Journal of Quantum Chemistry
Special Issue: Proceedings of the International Symposium on Theory and Computations in Molecular and Materials Sciences, Biology, and Pharmacology
Volume 107, Issue 15, pages 3103–3119, 2007
How to Cite
Takano, Y. and Yamaguchi, K. (2007), Hybrid density functional study of ligand coordination effects on the magnetic couplings and the dioxygen binding of the models of hemocyanin. Int. J. Quantum Chem., 107: 3103–3119. doi: 10.1002/qua.21479
- Issue published online: 20 SEP 2007
- Article first published online: 2 AUG 2007
- Manuscript Accepted: 8 JUN 2007
- Manuscript Received: 15 APR 2007
- Ministry of Education, Culture, Sports, Science and Technology (MEXT), Japan. Grant Numbers: 513-18054013, 18750011
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