[99] Weimin Guo, Wensheng Cai, Xueguang Shao, Zhongxiao Pan
Application of genetic stochastic resonance algorithm to quantitative structure-activity relationship study
Chemometrics and Intelligent Laboratory Systems, 2005,75(2):181-188
[100] Longjiu Cheng, Wensheng Cai, Xueguang Shao
Geometry optimization and conformation analysis of (C60)N clusters by using a dynamic lattice-searching method
ChemPhysChem, 2005, 6(2):261-266
[101] Longjiu Cheng, Wensheng Cai, Xueguang Shao
An energy-based perturbation and a taboo strategy for improving the searching ability of stochastic structural optimization methods
Chemical Physics Letters, 2005, 404(1-3):182-186
[102] Huan Zhan, Wensheng Cai, Qingxiang Guo, Xueguang Shao
A theoretical investigation of small Si/C clusters by a combination of MM and QM method
Chemical Physics Letters, 2005, 405(1-3):97-102
[103] 苏振强,徐佳维,蔡文生,邵学广
基于Globus ToolkitSunTM ONE Grid Engine构建计算网格
计算机与应用化学2005, 22(2):81-84
[104] 王伟,蔡文生,邵学广
化学进展2005, 17(2):336-342
[105] Wensheng Cai, Lei Xu, Nan Shao, Xueguang Shao, Qingxiang Guo
An Efficient Approach for Theoretical Study on the Low-Energy Isomers of Large Fullerenes C90-C140
The Journal of Chemical Physics, 2005, 122(18), 184318
[106] Wensheng Cai, Yanmin Yu, Xueguang Shao
Chiral Recognition of Aromatic Compounds by β-Cyclodextrin Based on Bimodal Complexation
Journal of Molecular Modelling, 2005, 11(3):186-193
[107] Wensheng Cai, Xuexia Yao, Xueguang Shao, Zhongxiao Pan
Bimodal Complexations of Steroids with Cyclodextrins by a Flexible Docking Algorithm
Journal of Inclusion Phenomena and Macrocyclic Chemistry, 2005, 51: 4151
[108] Xueguang Shao, Yuhong Xiang, and Wensheng Cai
Structural Transition from Icosahedra to Decahedra of Large Lennard-Jones Clusters
J. Phys. Chem. A,  2005, 109(23):5193-5197
[109] Xueguang Shao, Xiaomeng Liu, and Wensheng Cai
Structural optimization of silver clusters up to 80 atoms with Gupta and Sutton-Chen potential
Journal of Chemical Theory and Computation, 2005, 1(4):762-768
[110] 蔡文生,林翼,邵学广
化学进展, 2005, 17(4):588-596
[111]  李振龙,蔡文生,潘忠孝
计算机与应用化学2005, 22(12):1106-1110
[112] 侯振雨, 王国庆, 蔡文生, 邵学广
计算机与应用化学, 2005, 22(9):714-716