Ming Jing, Wensheng Cai, Xueguang Shao


Multiblock partial least squares regression based on wavelet transform for quantitative analysis of near infrared spectra

Chemometrics and Intelligent Laboratory Systems, 2010, 100(1):22-27



Xueguang Shao, Xia Wu, Wensheng Cai


Growth pattern of truncated octahedra in AlN (N≤ 310) clusters

Journal of Physical Chemistry A, 2010, 114(1):29-36



Wen Yadong, Wang Yi, Wang Nengru, Ma Xiang, Shao Xueguang


Comparison of methods for background correction of near infrared spectra of tobacco samples

Tobacco Science & Technology, 2010, (1):44-46


Lei Xu, Xueguang Shao, Wensheng Cai


Electronic structures, stabilities, and spectroscopies of the fullerene derivatives C68X4 (X = H, F, Cl)

Journal of Molecular Structure: THEOCHEM, 2010, 945(1-3):33-38



Heng Xu, Wensheng Cai, Xueguang Shao


Weighted partial least squares regression by variable grouping strategy for multivariate calibration of near infrared spectra

Analytical Methods, 2010, 2:289-294



Liu Qian, Sun Peiyan, Gao Zhenhui, Cai Wensheng, Shao Xueguang


Classification of oils by attenuated total reflectance-Fourier transform infrared spectrometry combined with recognition techniques

Spectroscopy and Spectral Analysis, 2010, 30(3):663-666



Xueguang Shao, Xihui Bian, Wensheng Cai


An improved boosting partial least squares method for near-infrared spectroscopic quantitative analysis

Analytica Chimica Acta, 2010, 666(1-2):32-37



Yingzhe Liu, Christophe Chipot, Xueguang Shao, Wensheng Cai


Solubilizing carbon nanotubes through noncovalent functionalization. Insight from the reversible wrapping of alginic acid around a single-walled carbon nanotube

Journal of Physical Chemistry B, 2010, 114(17):5783-5789




Tingting Sun, Xueguang Shao, Wensheng Cai


Self-assembly behavior of ß-cyclodextrin and imipramine. A Free energy perturbation study

Chemical Physics, 2010, 371:84-90



Peng Liu, Wensheng Cai, Christophe Chipot, Xueguang Shao


Thermodynamic insights into the dynamic switching of a cyclodextrin in a bistable molecular shuttle

Journal of Physical Chemistry Letters, 2010, 1:1776-1780

doi: 10.1021/jz100414j


Wang Teng, Cai Wensheng, Shao Xueguang


Theoretical Calculation of Cyclodextrins

Progress in Chemistry (Chinese Journal), 2010, 22(05):803-811


Ming Jing, Wensheng Cai, Xueguang Shao


Quantitative determination of the components in corn and tobacco samples by using near-infrared spectroscopy and multiblock partial least squares

Analytical Letters, 2010, 43(12):1910-1921



Xueguang Shao, Jun Kang, Wensheng Cai


Quantitative determination by temperature dependent near-infrared spectra

Talanta, 2010, 82:1017-1021



Xihui Bian, Wensheng Cai, Xueguang Shao, Da Chen, Edward R. Grant


Detecting influential observations by cluster analysis and Monte Carlo cross-validation

Analyst, 2010, 135:2841-2847



Xueguang Shao, Xihui Bian, Jingjing Liu, Min Zhang, Wensheng Cai



Multivariate calibration methods in near infrared spectroscopic analysis

Analytical Methods, 2010, 2:1662-1666



Xueguang Shao, Nan Sheng, Wensheng Cai



Quantitative analysis of chromium(VI) in dilute solution by using adsorption and diffuse reflectance near-infrared spectroscopy

Chinese Journal of Chemistry, 2010, 28(10):2009-2014



Xueguang Shao, Xia Wu, Wensheng Cai



Configuration of the surface atoms in AlN (270 ≤ N ≤ 500) clusters

Journal of Physical Chemistry A, 2010, 114(49):12813-12818

doi: 10.1021/jp106339f