2005
| [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 Toolkit和SunTM 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 |
| 傅立叶变换离子回旋共振质谱及其研究进展 | |
| 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: 41–51 |
| [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 |
| 团簇研究中的原子间势函数 | |
| 化学进展, 2005, 17(4):588-596 | |
| [111] | 李振龙，蔡文生，潘忠孝 |
| 环糊精常温液态水化过程的受控分子动力学(SMD)模拟研究 | |
| 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 |
| 连续小波变换―支持向量回归用于植物样品多组分分析 | |
| 计算机与应用化学, 2005, 22(9):714-716 |