Theory of chemical bonds in metalloenzymes XI: Full geometry optimization and vibration analysis of porphyrin iron-oxo species
Article first published online: 2 SEP 2008
Copyright © 2008 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 108, Issue 15, pages 2950–2965, 2008
How to Cite
Shoji, M., Isobe, H., Saito, T., Kitagawa, Y., Yamanaka, S., Kawakami, T., Okumura, M. and Yamaguchi, K. (2008), Theory of chemical bonds in metalloenzymes XI: Full geometry optimization and vibration analysis of porphyrin iron-oxo species. Int. J. Quantum Chem., 108: 2950–2965. doi: 10.1002/qua.21868
- Issue published online: 23 SEP 2008
- Article first published online: 2 SEP 2008
- Manuscript Accepted: 30 JUN 2008
- Manuscript Received: 1 MAY 2008
- Japan Society for the promotion of Science (JSPS). Grant Numbers: KAKENHI 19750046, 19350070, 18350008
- Ministry of Education, Culture, Sports, Science and Technology (MEXT). Grant Number: 19029028
- New Energy and Industrial Technology Development Organization (NEDO)
- Japan Science and Technology Agency (JST)
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