Modulated Nonlinear Optical Responses and Charge Transfer Transition in Endohedral Fullerene Dimers Na@C60C60@F with n-Fold Covalent Bond (n ) 1, 2, 5, and 6) and Long Range Ion Bond
writer：Fang Ma, Zhi-Ru Li,* Zhong-Jun Zhou, Di Wu, Ying Li, Yin-Feng Wang, and Ze-Sheng Li*
keywords：NLo C60
source：期刊
Issue time：2010年
Isomer structures of four endohedral fullerene dimers Na@C60C60@F with an n-fold bond (n ) 1, 2, 5 and
6) are obtained for the first time by using density functional theory. The n-fold bond depends on the dimeric
pattern between endohedral fullerenes Na@C60 and F@C60.