A Publication List of the Laboratory Since 1995

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2010

[1]

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

doi:10.1016/j.chemolab.2009.09.006

[2]

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

doi:10.1021/jp906922v

[3]

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

[4]

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

doi:10.1016/j.theochem.2010.01.002

[5]

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

doi:10.1039/b9ay00257j

[6]

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

doi:10.3964/j.issn.1000-0593(2010)03-0663-04

[7]

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

doi:10.1016/j.aca.2010.03.036

[8]

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

doi:10.1021/jp9110772

COVER ART

[9]

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

doi:10.1016/j.chemphys.2010.04.007

[10]

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

[11]

Wang Teng, Cai Wensheng, Shao Xueguang

 

Theoretical Calculation of Cyclodextrins

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

[12]

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

doi:10.1080/00032711003686973

[13]

Xueguang Shao, Jun Kang, Wensheng Cai

 

Quantitative determination by temperature dependent near-infrared spectra

 

Talanta, 2010, 82:1017-1021

doi:10.1016/j.talanta.2010.06.009

[14]

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

doi:10.1039/C0AN00345J

[15]

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

 

Multivariate calibration methods in near infrared spectroscopic analysis

 

Analytical Methods, 2010, 2:1662-1666

doi:10.1039/C0AY00421A

[16]

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

doi:10.1002/cjoc.201090335

[17]

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