1.
Geometry and electronic properties of B_n(n=2-15) clusters
B_n(n=2—15)团簇的几何结构和电子性质
2.
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
3.
Density function theory study of the structures and electronic properties of As_n(n=2～12)clusters
As_n(n=2～12)团簇几何结构和电子性质的DFT研究
4.
Notes on Geometric and Electronic Structure of Small [Ti_n-mH_2]~x(x=-1,0,+1)
小体系[Ti_n-mH_2]~x(x=-1,0,+1)的几何结构和电子性质
5.
Study on geometial structures and electronic properties of Mg_xNi_y(x+y≤5) alloys clusters
Mg_xNi_y(x+y≤5)合金团簇的几何结构和电子性质的理论研究
6.
The structural and electronic properties of the unconventional exohedral fullerene C_(64)Si
外掺非典型富勒烯C_(64)Si的几何结构和电子性质计算研究
7.
Effect of high pressures on structural,electronic and optical properties of BN nanotube
高压对氮化硼纳米管的几何结构、电子结构和光学性质的影响
8.
Geometries, Electronic Structures and Related Properties of Organic Dye Sensitizers JK16 and JK17
有机染料敏化剂JK16和JK17的几何结构、电子结构及相关性质(英文)
9.
Study on the Geometries,Stabilities and Electronic Structures of ZnSe_2 and Zn_2Se Clusters;
ZnSe_2和Zn_2Se团簇几何结构、稳定性及电子结构特性的研究
10.
Theoretical Investigations on the Electronic Structures and Properties of Several Heterocyclic Molecules
几种杂环小分子电子结构和性质的理论研究
11.
Theoretical Investigation on Geometrical and Electronic Structure of the RhSi_n(n=1-6) Clusters;
铑硅混合团簇几何构型及电子结构性质的理论研究
12.
The theoretical calculation methods, the calculated properties such as geometry, EA and IP of silver clusters are also discussed.
总结了银团簇的理论计算方法及计算得到的主要性质如稳定几何结构、子亲和势与电离能。
13.
First-Principles Study of the Structural and Electronic Properties for the Small Metal Clusters and Diluted Magnetic Semiconductors;
金属团簇和锰掺杂稀磁半导体中几何结构与电子性质的第一性原理研究
14.
First-Principles Study of the Structural and Electronic Properties for ZnO Series and GaN Based Diluted Magnetic Semiconductors;
ZnO系列和过渡金属掺杂GaN体系几何结构与电子性质的第一性原理研究
15.
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
16.
Theoretical Study of the Structural and Electronic Properties of Er_3N@C_(80)
内掺三金属氮化物富勒烯Er_3N@C_(80)的几何结构与电子性质理论研究
17.
A Theoretical Study on Geometries and Electronic Structure of Gold Clusters;
金原子团簇几何构型和电子结构的理论研究
18.
The Research for Geometry、Potential Function、Energy Level Distribution and Electronic Properties of Au、Cu、Y Micro-clusters;
金、铜、钇小团簇的几何结构、势能函数、能级分布和电子特性研究