1.
Study on the Structure and Stable of the NaP_n(n=1～9) Cluster
NaP_n(n=1～9)团簇结构和稳定性的研究
2.
The Density Functional Theory Study of Cu_nNi(n=1～9) Clusters
Cu_nNi(n=1～9)团簇的密度泛函研究
3.
Density functional theory study of the geometry,stability and electronic properties of Sc_nO(n=1-9) clusters
密度泛函理论研究Sc_nO(n=1—9)团簇的结构、稳定性与电子性质
4.
Investigation of FeB_N(N=1-10) Clusters by Using Density Functional Theory;
密度泛函理论研究FeB_N（N=1-10）团簇
5.
Structures and Magnetism of MnB_n (n=1～7) Clusters
MnB_n(n=1～7)团簇的结构和磁性
6.
Geometrical and Electronic Structures of Ga_nP(n=1～7) Clusters
Ga_nP(n=1-7)团簇的几何结构和电子性质
7.
Interaction of CO with Palladium Clusters Pd_n(n=1-8)
CO与Pd_n(n=1-8)团簇的相互作用
8.
Study on Structures and Magnetism of CoB_n(n=1-7) Clusters
CoB_n(n=1～7)团簇的结构和磁性
9.
Density-Functional Investigations on Small M_nC~±(M: Fe, Co, Ni, Cu; n=1-5) Clusters
M_nC~±（M：Fe，Co，Ni，Cu；n=1-5）团簇的密度泛函理论研究
10.
Electronic and structural properties of small clusters of Ag_nTl~((0,+1))(n=1-8)
二元合金团簇Ag_nTl~(0,+1)(n=1-8)的结构与电子特性的理论研究
11.
First-Principles Investigation on Pd_n、Pd_(n-1)S Clusters and the Phenomena about Blue-shift in the GaN by Al-doping;
Pd_n、Pd_（n-1）S团簇与Al掺杂GaN致使蓝移现象的第一性原理研究
12.
Theoretical Investigation on Geometries and Electronic Properties of the Neutral and Charged Nb_2Si_n(n=1～6) Clusters;
Nb_2Si_n（n=1～6）团簇的几何及电子结构性质的理论研究
13.
Theoretical study for the electronic spin polarization of Ga_(2n)(n=1～4)clusters
Ga_(2n)(n=1～4)团簇自旋极化机理的密度泛函理论研究
14.
Density functional theory study of the interaction of H_2 with rhodium clusters
密度泛函理论研究H_2与Rh_n(n=1—8)团簇的相互作用
15.
Density functional theoretical study of structures and stability of W_nSi~(0,±)(n=1～5) clusters
W_nSi~(0,±)(n=1～5)团簇结构和稳定性的密度泛函理论研究
16.
Density functional study of the interaction of CO with nickel clusters
密度泛函理论研究CO与Ni_n(n=1—6)团簇的相互作用
17.
Application of Density Functional Theory for the Study of the Structure of H_2O(NH_3)_n(n=1-6)
氨水团簇H_2O(NH_3)_n(n=1-6)结构的密度泛函理论研究
18.
DFT study of the structures and magnetism on the Mn-doped(Pt_nMn)~(±,0)(n=1～5) clusters
(Pt_nMn)~(±,0)(n=1～5)掺杂团簇结构与磁性的密度泛函研究