2005 (Chinese Version)

[199] 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
[200] 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
[201] 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
[202] Wang Guoqing, Shao Xueguang
A discrete wavelet transform-genetic algorithm-cross validation approach for high ratio compression and variable selection of near-infrared spectral data
Chinese Journal of Analytical Chemistry, 2005, 33(2):191-194
[203] Da Chen, Xueguang Shao, Bin Hu, Qingde Su
Simultaneous wavelength selection and outlier detection in multivariate regression of near-infrared spectra
Analytical Sciences, 2005, 21(2):161-166
[204] 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
 
[205] Su ZhenQiang, Xu JiaWei, Cai WenSheng, Shao XueGuang
A computational grid based on globus toolkit and SunTM ONE grid engine
Computers and Applied Chemistry, 2005, 22(2):81-84
[206] Da Chen, Bin Hu, Xueguang Shao, Qingde Su
A new hybrid strategy for constructing a robust calibration model for near-infrared spectral analysis
Analytical and Bioanalytical Chemistry, 2005, 381(3):795-805
[207] Wang Wei, Cai Wensheng, Shao Xueguang
Progress in Fourier Transform Ion Cyclotron Resonance Mass Spectroscopy
Progress in Chemistry, 2005, 17(2):336-342
[208] 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
[209] 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
[210] Xueguang Shao, Yuhong Xiang, Wensheng Cai
Structural Transition from Icosahedra to Decahedra of Large Lennard-Jones Clusters
Journal of Physical Chemistry A, 2005, 109(23):5193-5197
[211] 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
[212] 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
[213] Cai Wensheng, Lin Yi, Shao Xueguang
Interatomic potential function in cluster research
Progress in Chemistry, 2005,17(4):588-596
[214] Wu Ronghui, Shao Xueguang
An adaptive wavelet algorithm used to multivariate calibration of near infrared spectra
Chinese Journal of Analytical Chemistry, 2005, 33 (7): 1010-1012
[215] Hou Zhenyu, Wang Guoqing, Cai Wensheng, Shao Xueguang
Multicomponent analysis of plant samples using continuous wavelet transform and support vector regression
Computers and Applied Chemistry, 2005, 22(9):714-716
[216] Jinchao Shen, Xueguang Shao
A comparison of accelerated solvent extraction, Soxlet extraction, and ultrasonic-assisted extraction for analysis of terpenoids and sterols in tobacco
Analytical and Bioanalytical Chemistry, 2005, 383(6):1003-1008