1.
Density Functional Theoretical Studies on the Electronic Structure and Properties of the Ligand-Free Transition-Metal Clusters;
裸核过渡金属原子簇的电子结构与性质的DFT研究
2.
A Molecular Orbital Theory Study on the Variation of the Core Symmetry of the Tetranuclear Early Transition-Metal Clusters
前过渡金属四核原子簇簇骼对称性变化的分子轨道理论研究
3.
Synthesis and Properties of Calix[4]arene Based Receptors Containing Transition Metal Clusters
杯［4］芳烃过渡金属原子簇化合物的合成及性质研究
4.
The First-principle Studies of Geometrical Structure, Electronic Structure, and Magnetism of Transition Metal Clusters
过渡金属及其合金团簇的稳定性、电子结构和磁性研究
5.
First Principles Studies of Zr_nCo Clusters and Transition-Metal Boride/Nitride;
Zr_nCo团簇和过渡金属硼化物、氮化物的第一性原理研究
6.
First Principles Study on the Structure and Properties of MBe_n (M=Fe、Co、Ni) (n=2-12) Clusters;
过渡金属M（M=Fe、Co、Ni）掺杂纯铍团簇的第一性原理研究
7.
Calculations of the Transition-metal Clusters and the Rare-earth Intermetallics
过渡金属团簇和稀土金属间化合物的计算
8.
The geometrical structure,electronic structure and magnetism of bimetallic Au_nM_2(n=1,2;M=Sc,Ti,V,Cr,Mn,Fe,Co,Ni) clusters
Au和3d过渡金属元素混合团簇结构、电子结构和磁性的研究
9.
Theoretical Microcosmic Dynamics Study of Atom or Molecule on the Transition Metal Surfaces;
原子、分子在过渡金属Pd表面的微观动力学研究
10.
Investigation of the Gas-Phase Oxygen-Atom Transport Catalyzed by Transition Metal Ions
过渡金属离子催化的气相氧原子转移研究
11.
Synthesis, Structures and Characterization of Transition Metal Complexes of N-heterocycle-containing Ligands and Clusters Induced by Rare Earth Metal Ions
过渡金属的氮杂环配合物、稀土金属离子诱导的簇合物的合成及结构研究
12.
The Synthesis, Crystal Structure and Properties Investigations on Transition Metal-Sulfer Clusters;
过渡金属—硫簇合物的合成、结构和性能研究
13.
A Computational Investigation of Transition Metal Doped Silicon Clusters by Using Density Functional Theory;
过渡金属掺杂硅团簇的密度泛函理论研究
14.
Structural Evolution of Transition Metal Co、Rh、Ir、Ni、Pd and Pt Clusters;
过渡金属Co、Rh、Ir、Ni、Pd、Pt团簇结构演化行为
15.
Density Functional Calculations of the Magnetic Transition-metal and Carbon Mixed Clusters;
磁性过渡金属及其碳混合团簇的DFT研究
16.
Mechanism for Atom、Molecular Adsorption on Simple Metal and Transition Metal Surface
原子或分子在简单金属及过渡金属表面吸附和解离的理论研究
17.
Study on the Mechanism of the Activation of Ethane via Transition Metal Atom Catalysis;
过渡金属原子催化活化乙烷的机理研究
18.
The Study of Keggin Polyoxometalate Clusters Modified by Transition-metal Chelated Compounds;
过渡金属螯合物修饰的Keggin型多金属氧簇化合物的研究