Extended Hartree–Fock theory of chemical reactions. IX. Diradical and perepoxide mechanisms for oxygenations of ethylene with molecular oxygen and iron-oxo species are revisited
Version of Record online: 27 AUG 2009
Copyright © 2009 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 109, Issue 15, pages 3745–3766, December 2009
How to Cite
Yamaguchi, K., Yamanaka, S., Shimada, J., Isobe, H., Saito, T., Shoji, M., Kitagawa, Y. and Okumura, M. (2009), Extended Hartree–Fock theory of chemical reactions. IX. Diradical and perepoxide mechanisms for oxygenations of ethylene with molecular oxygen and iron-oxo species are revisited. Int. J. Quantum Chem., 109: 3745–3766. doi: 10.1002/qua.22388
- Issue online: 25 SEP 2009
- Version of Record online: 27 AUG 2009
- Manuscript Accepted: 8 JUN 2009
- Manuscript Received: 30 APR 2009
- New Energy and Industrial Technology Development Organization (NEDO)
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