A Publication List of the Laboratory Since 1995

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2007

[1]	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 doi:10.1007/s00216-006-0967-3

[2]	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

[3]	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

[4]	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 doi:10.1016/j.compbiolchem.2007.01.001

[5]	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

[6]	Longjiu Cheng, Wensheng Cai, Xueguang Shao
	A conformational analysis method for understanding the energy landscapes of clusters
	ChemPhysChem, 2007, 8(4): 569-577 doi:10.1002/cphc.200600604

[7]	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 doi:10.1016/j.talanta.2006.10.022

[8]	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 doi:10.1002/jcc.20668

[9]	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 doi:10.1016/j.chemolab.2007.04.001

[10]	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 doi:10.1021/jp0711895

[11]	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

[12]	Da Chen, Wensheng Cai, Xueguang Shao
	Removing uncertain variables based on ensemble partial least squares
	Analytica Chimica Acta, 2007, 598(1):19-26 doi:10.1016/j.aca.2007.07.023

[13]	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 C116–C120
	Journal of Molecular Structure: THEOCHEM, 2007, 817(1-3):35-41 doi:10.1016/j.theochem.2007.04.020

[14]	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 doi:10.1007/s11426-007-0065-1

[15]	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

[16]	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