A Publication List of the Laboratory Since 1995

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2009

[1]

Yong Hao, Wensheng Cai, Xueguang Shao

 

A strategy for enhancing the quantitative determination ability of the diffuse reflectance near-infrared spectroscopy

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2009, 72:115-119

doi:10.1016/j.saa.2008.08.011

 

[2]

Zhichao Liu, Wensheng Cai, Xueguang Shao

 

A weighted multiscale regression for multivariate calibration of near infrared spectra

Analyst, 2009, 134:261-266

doi: 10.1039/b810623a

 

[3]

Zhichao Liu, Wensheng Cai, Xueguang Shao

 

High-throughput approach for analysis of multicomponent gas chromatographic mass spectrometric signals

Journal of Chromatography A, 2009, 1216:1469-1475

doi:10.1016/j.chroma.2008.12.098

 

[4]

Hao Yong, Cai Wensheng, Shao Xueguang

 

Construction of the calibration model for near infrared spectral analysis of complex samples

Chemical Journal of Chinese Universities, 2009, 30(1):28-31

 

[5]

Fujuan Li, Qian Liu, Wensheng Cai, Xueguang Shao

 

Analysis of scopoletin and caffeic acid in tobacco by GCMS after a rapid derivatization procedure

Chromatographia, 2009, 69(7-8):743748

doi:10.1365/s10337-008-0938-2

 

[6]

Heng Xu, Zhichao Liu, Wensheng Cai, Xueguang Shao

 

A wavelength selection method based on randomization test for near-infrared spectral analysis

Chemometrics and Intelligent Laboratory Systems, 2009, 97:189-193

doi:10.1016/j.chemolab.2009.04.006

 

[7]

Wensheng Cai, Tingting Sun, Peng Liu, Christophe Chipot, Xueguang Shao

 

Inclusion mechanism of steroid drugs into beta-cyclodextrins.insights from free energy calculations

Journal of Physical Chemistry B, 2009, 113(22):7836-7843

doi:10.1021/jp901825w

 

[8]

Bingchun Xue, Xueguang Shao, Wensheng Cai

 

Comparison of the properties of bent and straight single-walled carbon nanotube intramolecular junctions

Journal of Chemical Theory and Computation, 2009, 5(6):1554-1559

doi:10.1021/ct900039v

 

[9]

Nan Sheng, Wensheng Cai, Xueguang Shao

 

An approach by using near-infrared diffuse reflectance spectroscopy and resin adsorption for the determination of copper, cobalt and nickel ions in dilute solution

Talanta, 2009, 79:339-343

doi:10.1016/j.talanta.2009.03.059

 

[10]

Zhichao Liu, Xiang Ma, Yadong Wen, Yi Wang, Wensheng Cai, Xueguang Shao

 

A practical approach for near infrared spectral quantitative analysis of complex samples using partial least squares modeling

Science in China Series B-Chemistry, 2009, 52(7):1021-1027

doi:10.1007/s11426-009-0110-3

 

[11]

Shao Xueguang, Chen Da, Xu Heng, Liu Zhichao, Cai Wensheng

 

Improving the robustness and stability of partial least squares regression for near-infrared spectral analysis

Chinese Journal of Chemistry, 2009, 27:1328-1332

doi:10.1002/cjoc.200990222

 

[12]

Xia Wu, Wensheng Cai, Xueguang Shao

 

Optimization of bimetallic Cu-Au and Ag-Au clusters by using a modified adaptive immune optimization algorithm

Journal of Computational Chemistry, 2009, 30(13):1992-2000

doi:10.1002/jcc.21197

 

[13]

Xia Wu, Wensheng Cai, Xueguang Shao

 

A dynamic lattice searching method with rotation operation for optimization of large clusters

Chemical Physics, 2009, 363:7277

doi:10.1016/j.chemphys.2009.08.001

 

[14]

Xueguang Shao, Zhichao Liu, Wensheng Cai

 

Extraction of chemical information from complex analytical signals by a non-negative independent component analysis

Analyst, 2009, 134:20952099

doi: 10.1039/b902664a

 

[15]

Lei Xu, Xueguang Shao, Wensheng Cai

 

Structure, stability, and thermochemistry of the fullerene derivatives C64X6 (X = H, F, Cl)

Journal of Physical Chemistry A, 2009, 113(40): 10839-10844

doi: 10.1021/jp905734n

 

[16]

Shao Xueguang, Liu Zhichao, Cai Wensheng

 

Immume algorithm: a new chemometrics tool for resolution of multicomponent overlapping chromatographic signals

Chinese Journal of Chromatography, 2009, 27(5): 648-654

 

[17]

Xueguang Shao, Zhichao Liu, Wensheng Cai

 

Resolving multi-component overlapping GC-MS signals by immune algorithms

Trends in Analytical Chemistry, 2009, 28(11): 1312-1321

doi:10.1016/j.trac.2009.08.003

 

[18]

Xueguang Shao, Xia Wu, Wensheng Cai

 

Dynamic lattice searching methods for optimization of clusters

Frontiers of Chemistry in China, 2009, 4(4): 335–342

doi:10.1007/s11458-009-0104-x