2010

[181]

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

[182]

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

[183]

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

[184]

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

[185]

刘倩, 孙培艳, 高振会, 蔡文生, 邵学广

 

衰减全反射傅里叶变换红外光谱技术结合模式识别进行油品鉴别

光谱学与光谱分析, 2010, 30(3):663-666

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

[186]

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

[187]

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

[188]

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

[189]

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

[190]

王腾，蔡文生，邵学广

 

环糊精的理论计算

化学进展，2010, 22(05):803-811

[191]

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

[192]

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

[193]

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

[194]

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

 

Multivariate calibration methods in near infrared spectroscopic analysis

Anal. Methods, 2010, 2:1662-1666

doi:10.1039/C0AY00421A

[195]

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

[196]

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