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Computational Quantum Chemistry
Combination of approximate spin-projection and spin-restricted calculations based on ONIOM method for geometry optimization of large biradical systems
Article first published online: 13 FEB 2012
Copyright © 2012 Wiley Periodicals, Inc.
International Journal of Quantum Chemistry
Special Issue: Seventh Congress of the International Society for Theoretical Chemical Physics
Volume 113, Issue 3, pages 290–295, 5 February 2013
How to Cite
Kitagawa, Y., Yasuda, N., Hatake, H., Saito, T., Kataoka, Y., Matsui, T., Kawakami, T., Yamanaka, S., Okumura, M. and Yamaguch, K. (2013), Combination of approximate spin-projection and spin-restricted calculations based on ONIOM method for geometry optimization of large biradical systems. Int. J. Quantum Chem., 113: 290–295. doi: 10.1002/qua.24018
- Issue published online: 17 DEC 2012
- Article first published online: 13 FEB 2012
- Manuscript Accepted: 2 JAN 2012
- Manuscript Revised: 28 DEC 2011
- Manuscript Received: 2 DEC 2011
- Ministry of Education, Culture, Sports, Science and Technology (MEXT) (Coordination program). Grant Number: 22108515
- Japan Society for the Promotion of Science (JSPS) (KAKENHI). Grant Number: 23350064
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