1.
First Principles Study of the Ground-state Structures Stability as Well as Magnetism of Zr_n, Zr_nFe Clusters;
第一性原理计算Zr_n、Zr_nFe团簇的基态结构、稳定性及其磁性
2.
Structures and Optical Absorption Spectra of Sulfur Cluster S_6;
硫团簇S_6的基态结构与光学吸收谱
3.
The Study of Structural Properties of Clusters and the Efficiency of Different Methods;
团簇基态结构特性的研究与求解算法的效率
4.
Calculation on the Structure and Properties of Small Tungsten and Aluminum Tungsten Clusters;
钨团簇、铝钨团簇的结构和电子特性计算
5.
Theoretical Study on the Structures and Properties of Gold and Gold-based Binary-alloy Clusters
金及金基二元团簇结构与性质的理论研究
6.
Structural optimization of large clusters based on rotation operation
基于旋转操作的大尺寸团簇结构优化研究
7.
Prediction of Stable Configurations of A1_(12)C Cluster Based on A New Method of Transition State SearchPing PENG Gui-fa LI
一种过渡态搜索方法及其在Al_(12)C团簇结构形态预测中的应用
8.
Formation Properties of Cluster Structures during the Rapid Solidification of Liquid Ca_7Mg_3 Alloy
液态Ca_7Mg_3合金快速凝固过程中团簇结构的形成特性
9.
The Geometries、Electronic of Nickel Clusters and Influence of Its Complexes at Nickel Clusters;
镍团簇的几何结构、电子结构及其结合物的影响
10.
Silicon-Carbon Clusters and Golden Cages: DFT Investigation;
硅碳混合团簇和金笼状结构的DFT计算
11.
Study on the Structural and Electronic Properties of Mercury Chalcogenide Clusters;
硫族化汞团簇结构与电子性质的研究
12.
Structure and Energy of Copper Clusters Studied by Computer Simulation;
铜团簇结构和能量的计算机模拟研究
13.
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
14.
Effects of Charges Carried on Energy and Structure of Ga_5As_5 Cluster
带电对Ga_5As_5团簇能量和结构的影响
15.
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
16.
Structures and Magnetism of MnB_n (n=1～7) Clusters
MnB_n(n=1～7)团簇的结构和磁性
17.
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
18.
Research on Structure and Electric-Optic Characters of Ga2As Clusters
Ga_2As团簇结构及其电光特性的研究