Estimation of effective exchange integral value of polyradical systems based on the band calculation
Article first published online: 30 JUL 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 3632–3640, December 2009
How to Cite
Nakanishi, Y., Kitagawa, Y., Saito, T., Kataoka, Y., Matsui, T., Kawakami, T., Okumura, M. and Yamaguchi, K. (2009), Estimation of effective exchange integral value of polyradical systems based on the band calculation. Int. J. Quantum Chem., 109: 3632–3640. doi: 10.1002/qua.22375
- Issue published online: 25 SEP 2009
- Article first published online: 30 JUL 2009
- Manuscript Accepted: 29 MAY 2009
- Manuscript Received: 29 APR 2009
- Grants-in-Aid for Scientific Research (KAKENHI) (Japan Society for the Promotion of Science). Grant Numbers: 19750046, 19350070, 18350008
- Priority Areas (Ministry of Education, Culture, Sports, Science and Technology). Grant Number: 19029028
Additional Supporting Information may be found in the online version of this article.
|QUA_22375_sm_SupFigS1.pdf||65K||Supplemental Figure S1.|
|QUA_22375_sm_SupTabS1.pdf||40K||Supplemental Table S1.|
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