Theoretical Studies on Structures and Nonlinear Optical Properties of Superalkali-based Electrides Li3@calix[4]pyrrole and Li3O@calix[4]pyrrole
HOU Na, LI Ying, WU Di, LI Zhiru
Chem. J. Chinese Universities . 2014, (4): 798 -803 .  DOI: 10.7503/cjcu20131229