Geometric and electronic properties of C_(60)F_(24) with four types of symmetries (T_h, D_(2h), D_2 and D_(3d)) have been investigated using the density functional theory (DFT) at BLYP/dnp level.

• 本文通过密度泛函理论BLYP/dnp对C_(60)F_(24)的几何结构和电子性质进行了系统的研究。