化学信息学实验室
2010年发表的部分论文目录
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[1] |
Ming Jing, Wensheng Cai, Xueguang Shao |
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Multiblock partial least squares regression based on wavelet transform for quantitative analysis of near infrared spectra |
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Chemometrics
and Intelligent Laboratory Systems, 2010,
100(1):22-27 |
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[2] |
Xueguang Shao, Xia Wu, Wensheng Cai |
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Growth pattern of truncated octahedra in AlN (N≤ 310) clusters |
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Journal
of Physical Chemistry A, 2010, 114(1):29-36 |
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[3] |
温亚东, 王毅, 王能如, 马翔, 邵学广 |
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烟草样品近红外光谱的背景校正方法比较 |
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烟草科技, 2010,
(1):44-46 |
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[4] |
Lei Xu, Xueguang Shao, Wensheng Cai |
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Electronic structures, stabilities, and spectroscopies of the fullerene derivatives C68X4 (X = H, F, Cl) |
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Journal of Molecular Structure: THEOCHEM, 2010, 945(1-3):33-38 |
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[5] |
Heng Xu, Wensheng Cai, Xueguang Shao |
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Weighted partial least squares regression by variable grouping strategy for multivariate calibration of near infrared spectra |
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Analytical Methods, 2010, 2:289-294 |
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[6] |
刘倩, 孙培艳, 高振会, 蔡文生, 邵学广 |
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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 |
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光谱学与光谱分析, 2010,
30(3):663-666 |
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[7] |
Xueguang Shao, Xihui Bian, Wensheng Cai |
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An improved boosting partial least squares method for near-infrared spectroscopic quantitative analysis |
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Analytica Chimica Acta,
2010, 666(1-2):32-37 |
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[8] |
Yingzhe Liu, Christophe Chipot, Xueguang Shao, Wensheng Cai |
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Solubilizing carbon nanotubes through noncovalent functionalization. Insight from the reversible wrapping of alginic acid around a single-walled carbon nanotube |
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Journal of Physical Chemistry B, 2010, 114(17):5783-5789 |
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[9] |
Tingting Sun, Xueguang Shao, Wensheng Cai |
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Self-assembly behavior of ß-cyclodextrin and imipramine. A Free energy perturbation study |
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Chemical Physics, 2010, 371:84-90 |
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[10] |
Peng Liu, Wensheng Cai, Christophe Chipot, Xueguang Shao |
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Thermodynamic insights into the dynamic switching of a cyclodextrin in a bistable molecular shuttle |
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Journal of Physical Chemistry Letters, 2010, 1:1776-1780 |
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[11] |
王腾，蔡文生，邵学广 |
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环糊精的理论计算 |
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化学进展，2010, 22(05):803-811 |
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[12] |
Ming Jing, Wensheng Cai, Xueguang Shao |
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Quantitative determination of the components in corn and tobacco samples by using near-infrared spectroscopy and multiblock partial least squares |
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Analytical Letters, 2010, 43(12):1910-1921 |
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[13] |
Xueguang Shao, Jun Kang, Wensheng Cai |
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Quantitative determination by temperature dependent near-infrared spectra |
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Talanta, 2010, 82:1017-1021 |
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[14] |
Xihui Bian, Wensheng Cai, Xueguang Shao, Da Chen, Edward R. Grant |
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Detecting influential observations by cluster analysis and Monte Carlo cross-validation |
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Analyst, 2010, 135:2841-2847 |
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[15] |
Xueguang Shao, Xihui Bian, Jingjing Liu, Min Zhang, Wensheng Cai |
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Multivariate calibration methods in near infrared spectroscopic analysis |
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Analytical Methods, 2010, 2:1662-1666 |
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[16] |
Xueguang Shao, Nan Sheng, Wensheng Cai |
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Quantitative analysis of chromium(VI) in dilute solution by using adsorption and diffuse reflectance near-infrared spectroscopy |
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Chinese Journal of Chemistry, 2010, 28(10):2009-2014 |
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[17] |
Xueguang Shao, Xia Wu, Wensheng Cai |
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Configuration of the surface atoms in AlN (270 ≤ N ≤ 500) clusters |
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Journal of Physical Chemistry A,
2010, 114(49):12813-12818 |
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