化学信息学实验室
2009年发表的部分论文目录
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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 | |
| [2] | Zhichao Liu, Wensheng Cai, Xueguang Shao |
| A weighted multiscale regression for multivariate calibration of near infrared spectra | |
| Analyst, 2009, 134:261-266 | |
| [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 | |
| [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 | |
| [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 | |
| [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 | |
| [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 | |
| [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 | |
| [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 | |
| [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 | |
| [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 | |
| [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 | |
| [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 | |
| [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 | |
| [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 | |
| [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 |