5d过渡金属原子中心镶嵌Ag团簇M@Ag12(M＝Hf～Hg) Ih和Oh构型的密度泛函理论研究

龙娟仇毅翔王曙光

A DFT Study of 5d Transition Metal Impurities Encapsulated in the Icosahedral and Cuboctahedral Ag12 Cages

LONG, Juan QIU, Yi-Xiang WANG, Shu-Guang*

化学学报 . 2008, (15): 1771 -1775 .