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 C116C120

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