[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]

郝勇， 蔡文生， 邵学广

复杂样品近红外光谱定量分析模型的构建方法

高等学校化学学报, 2009, 30(1):28-31

[5]

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

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, 363:72-77

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, 134:2095-2099

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]

邵学广，刘智超，蔡文生

免疫算法：一种新的多组分重叠色谱信号的解析方法

色谱, 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