2005 (Chinese Version)
| [199] | Weimin Guo, Wensheng Cai, Xueguang Shao, Zhongxiao Pan |
| Application of genetic stochastic resonance algorithm to quantitative structure-activity relationship study | |
| Chemometrics
and Intelligent Laboratory Systems, 2005,75(2):181-188 doi:10.1016/j.chemolab.2004.07.004 |
| [200] | Longjiu Cheng, Wensheng Cai, Xueguang Shao |
| Geometry optimization and conformation analysis of (C60)N clusters by using a dynamic lattice-searching method | |
| ChemPhysChem, 2005, 6(2):261-266 doi:10.1002/cphc.200400425 |
| [201] | Longjiu Cheng, Wensheng Cai, Xueguang Shao |
| An energy-based perturbation and a taboo strategy for improving the searching ability of stochastic structural optimization methods | |
| Chemical
Physics Letters, 2005,
404(1-3):182-186 doi:10.1016/j.cplett.2005.01.067 |
|
| [202] | Wang Guoqing, Shao Xueguang |
| A discrete wavelet transform-genetic algorithm-cross validation approach for high ratio compression and variable selection of near-infrared spectral data | |
| Chinese Journal of Analytical Chemistry, 2005, 33(2):191-194 |
| [203] | Da Chen, Xueguang Shao, Bin Hu, Qingde Su |
| Simultaneous wavelength selection and outlier detection in multivariate regression of near-infrared spectra | |
| Analytical Sciences, 2005, 21(2):161-166 |
| [204] | Huan Zhan, Wensheng Cai, Qingxiang Guo, Xueguang Shao |
| A theoretical investigation of small Si/C clusters by a combination of MM and QM method | |
| Chemical Physics Letters, 2005, 405(1-3):97-102 doi:10.1016/j.cplett.2005.02.016 |
| [205] | Su ZhenQiang, Xu JiaWei, Cai WenSheng, Shao XueGuang |
| A computational grid based on globus toolkit and SunTM ONE grid engine | |
| Computers and Applied Chemistry, 2005, 22(2):81-84 |
| [206] | Da Chen, Bin Hu, Xueguang Shao, Qingde Su |
| A new hybrid strategy for constructing a robust calibration model for near-infrared spectral analysis | |
| Analytical and Bioanalytical Chemistry, 2005, 381(3):795-805 doi:10.1007/s00216-004-2937-y |
|
| [207] | Wang Wei, Cai Wensheng, Shao Xueguang |
| Progress in Fourier Transform
Ion Cyclotron Resonance Mass Spectroscopy |
|
| Progress in Chemistry, 2005, 17(2):336-342 |
| [208] | Wensheng Cai, Lei Xu, Nan Shao, Xueguang Shao, Qingxiang Guo |
| An
efficient approach for theoretical study on the low-energy isomers of large fullerenes C90-C140 |
|
| The Journal of Chemical Physics, 2005, 122(18), 184318 http://scitation.aip.org/journals/doc/JCPSA6-ft/vol_122/iss_18/184318_1.html |
|
| [209] | Wensheng Cai, Xuexia Yao, Xueguang Shao, Zhongxiao Pan |
| Bimodal
complexations of steroids with cyclodextrins by a flexible docking algorithm |
|
| Journal of Inclusion Phenomena and Macrocyclic Chemistry, 2005, 51: 41–51 http://dx.doi.org/10.1007/s10847-004-5238-3 |
|
| [210] | Xueguang Shao, Yuhong Xiang, Wensheng Cai |
| Structural
Transition from Icosahedra to Decahedra of Large Lennard-Jones Clusters |
|
| Journal of Physical Chemistry A, 2005, 109(23):5193-5197 http://dx.doi.org/10.1021/jp051541j 50 free electronic reprints are being offered at: http://pubs.acs.org/cgi-bin/download.pl?jp051541j/d5tE |
|
| [211] | Wensheng Cai, Yanmin Yu, Xueguang Shao |
| Chiral recognition of aromatic compounds by β-cyclodextrin
based on bimodal complexation |
|
| Journal of Molecular Modelling, 2005, 11(3):186-193 http://dx.doi.org/10.1007/s00894-004-0233-6 |
|
| [212] | Xueguang Shao, Xiaomeng Liu, and Wensheng Cai |
| Structural optimization of silver clusters up to 80 atoms with Gupta and Sutton-Chen potential | |
| Journal of Chemical Theory and Computation, 2005, 1(4):762-768 http://dx.doi.org/10.1021/ct049865j 50 free electronic reprints are being offered at: http://pubs.acs.org/cgi-bin/download.pl?ct049865j/H4g8 |
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| [213] | Cai Wensheng, Lin Yi, Shao Xueguang |
| Interatomic potential function in cluster research | |
| Progress in Chemistry, 2005,17(4):588-596 | |
| [214] | Wu
Ronghui, Shao Xueguang |
| An adaptive wavelet algorithm used to multivariate calibration of near infrared spectra | |
| Chinese Journal of Analytical Chemistry, 2005, 33 (7): 1010-1012 | |
| [215] | Hou Zhenyu, Wang Guoqing, Cai Wensheng, Shao Xueguang |
| Multicomponent analysis of plant samples using continuous wavelet transform and support vector regression | |
| Computers and Applied Chemistry, 2005, 22(9):714-716 | |
| [216] | Jinchao Shen, Xueguang Shao |
| A comparison of accelerated solvent extraction, Soxlet extraction, and ultrasonic-assisted extraction for analysis of terpenoids and sterols in tobacco | |
| Analytical
and Bioanalytical Chemistry, 2005, 383(6):1003-1008 http://dx.doi.org/10.1007/s00216-005-0078-6 |
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