2009

[163]

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

 

[164]

Zhichao Liu, Wensheng Cai, Xueguang Shao

 

 

A weighted multiscale regression for multivariate calibration of near infrared spectra

 

Analyst, 2009, 134:261-266

 

[165]

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

 

[166]

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

 

[167]

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

 

[168]

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

 

[169]

Fujuan Li, Qian Liu, Wensheng Cai, Xueguang Shao

 

Analysis of scopoletin and caffeic acid in tobacco by GC–MS after a rapid derivatization procedure

Chromatographia, 2009, 69(7-8):743–748

[170]

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

[171]

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

[172]

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

 

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

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

[173]

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

[174]

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

[175]

Xia Wu, Wensheng Cai, Xueguang Shao

 

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

Chemical Physics, 2009, 363:7277

[176]

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

[177]

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

[178]

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

[179]

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

[180]

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