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Guangtao Yu, Xu-Ri Huang, Wei Chen and Chia-Chung Sun 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) Journal of Computational Chemistry 32

Version of Record online: 11 APR 2011 | DOI: 10.1002/jcc.21789

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