A Publication List of the Laboratory Since 1995

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Da Chen, Wensheng Cai, Xueguang Shao


An adaptive strategy for selecting representative calibration samples in the continuous wavelet domain for near-infrared spectral analysis

Analytical and Bioanalytical Chemistry, 2007, (387):1041-1048




Lin Yi, Cai Wensheng, Shao Xueguang


Semiempirical study on the stability of single-walled carbon nanotubes with different sizes

Computers and Applied Chemistry, 2007, 24(1):97-102



Xu Lei, Cai Wensheng, Shao Xueguang


Theoretical studies on the structures and stability of C80-C90 fullerenes

Computers and Applied Chemistry, 2007, 24(1):103-106



Zhenqiang Su, Huixiao Hong, Roger Perkins, Xueguang Shao, Wensheng Cai, Weida Tong


Consensus analysis of multiple classifiers using non-repetitive variables: Diagnostic application to microarray gene expression data

Computational Biology and Chemistry, 2007, 31:48-56




Li Yankun, Shao Xueguang, Cai Wensheng


Partial least squares regression method based on consensus modeling for quantitative analysis of near-infrared spectra

Chemical Journal of Chinese Universities, 2007, 28(2):246-249



Longjiu Cheng, Wensheng Cai, Xueguang Shao


A conformational analysis method for understanding the energy landscapes of clusters

ChemPhysChem, 2007, 8(4): 569-577




Yankun Li, Xueguang Shao, Wensheng Cai


A consensus least squares support vector regression (LS-SVR) for analysis of near-infrared spectra of plant samples

Talanta, 2007, 72(1): 217-222




Xiaoli Yang, Wensheng Cai, Xueguang Shao


A dynamic lattice searching method with constructed core for optimization of large Lennard-Jones clusters

Journal of Computational Chemistry, 2007, 28(8):1427-1433




Da Chen, Wensheng Cai, Xueguang Shao


 Representative subset selection in modified iterative predictor weighting (mIPW) PLS models for parsimonious multivariate calibration

Chemometrics and Intelligent Laboratory Systems, 2007, 87(2):312-318




Xiaoli Yang, Wensheng Cai, Xueguang Shao


Structural variation of silver clusters from Ag13 to Ag160

Journal of Physical Chemistry A, 2007, 111(23):5048-5056




Li Fujuan, Cai Wensheng, Shao Xueguang


Analysis of polyphenols in Tobacco using reversed-phase high performance liquid chromatography

Chinese Journal of Chromatography, 2007, 25(4):565-568



Da Chen, Wensheng Cai, Xueguang Shao


Removing uncertain variables based on ensemble partial least squares

Analytica Chimica Acta, 2007, 598(1):19-26




Lei Xu, Wensheng Cai and Xueguang Shao


Performance of the semiempirical AM1, PM3, MNDO, and tight-binding methods in comparison with DFT method for the large fullerenes C116C120

Journal of Molecular Structure: THEOCHEM, 2007, 817(1-3):35-41




Wei Wang, Wensheng Cai, Xueguang Shao


A post-modification approach to independent component analysis for resolution of overlapping GC/MS signals: from independent components to chemical components

Science in China Series B: Chemistry, 2007, 50(4):530-537




Su Zhenqiang, Hong Huixiao, Tong Weida, Perkins Roger, Shao Xueguang, Cai Wensheng


Identification of differentially expressed genes using disjoint principal component analysis coupled with genetic algorithm

Chemical Journal of Chinese Universities, 2007, 28(9):1640-1644



Lin Yi, Cai Wensheng, Shao Xueguang


Improved tight-binding Monte Carlo method and its application in carbon nanopeapod

Chemical Journal of Chinese Universities, 2007, 28(9):1751-1755