An ab initio Investigation on Aromaticities in Semiconductor systems

Structural and Electronic Properties of Genm- and KGen- Zintl Anions (n=3-10;m=2-4 ) from Density Functional Theory

Ab initio Configuration Calculations of Semiconductor Ternary Clusters GelSimCn (l+m+n≤6)

A Potential Energy Function Study of the Dynamical and Surface Properties of Lead

晶体铅动力学及其表面性质的势能函数模拟

Synthesis and characterization of water-insoluble and water- soluble dibutyltin(IV) porphinate complexes based on the tris(pyridinyl) porphyrin moiety, their anti-tumor

Ionization Potentials，Electron Affinities and Vibrational Frequencies of Gen (n=5-10) Neutrals and Charged Ions from Density Functional Theory

Structural and Electronic Properties of Semiconductor Binary Microclusters AmBn (A，B=Si，Ge，C)：A B3LYP-DFT Study

水溶性不对称卟啉及其金属配合物合成及与DNA的作用

四[对-(羧基甲氧基)苯基]卟啉的金属配合物(M=Zn,Cu, Ni)的π-π配合及其二丁基锡(Ⅳ)酯衍生物的抗癌活性

水溶性有机锡卟啉酯的合成及其体外抗肿瘤活性

β-环糊精与四-N-正丙基吡啶基卟啉包合作用的研究

Pbn(n=2-30)团簇结构及铅晶体表面过程的计算机模拟

硅锗混合团簇GemSin（m+n≤10）的非正交紧束缚模型研究

Pbn 微团簇( n = 20～30) 及铅晶体表面过程的计算机模拟

Nonorthogonal Tight-binding Study of the Geometries and Electronic Properties of Gen (n= 2-20) Clusters

面心立方C60表面过程的计算机模拟

二角场及四角场fN组态的配位场计算程序

多体展开势能函数在碳元素原子簇研究中的应用(Ⅳ)Si9～Si16原子簇的结构与稳定性

晶体C60的相对稳定性