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).
Guang-Tao YuXu-Ri HuangWei ChenChia-Chung SunPublished in: J. Comput. Chem. (2011)