Alkali metal atom-aromatic ring: A novel interaction mode realizes large first hyperpolarizabilities of M@AR (M = Li, Na, and K, AR = pyrrole, indole, thiophene, and benzene)
Article first published online: 11 APR 2011
Copyright © 2011 Wiley Periodicals, Inc.
Journal of Computational Chemistry
Volume 32, Issue 9, pages 2005–2011, 15 July 2011
How to Cite
Yu, G., Huang, X.-R., Chen, W. and Sun, C.-C. (2011), Alkali metal atom-aromatic ring: A novel interaction mode realizes large first hyperpolarizabilities of M@AR (M = Li, Na, and K, AR = pyrrole, indole, thiophene, and benzene). J. Comput. Chem., 32: 2005–2011. doi: 10.1002/jcc.21789
- Issue published online: 25 APR 2011
- Article first published online: 11 APR 2011
- Manuscript Accepted: 15 FEB 2011
- Manuscript Revised: 3 FEB 2011
- Manuscript Received: 3 APR 2010
- NSFC. Grant Numbers: 20773048, 21073075
- Jilin University. Grant Numbers: 450080011085, 450080011084
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