A Publication List of the Laboratory Since 1995

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2004

[1] Xueguang Shao, Haiyan Jiang, Wensheng Cai
Parallel random tunneling algorithm for structural optimization of Lennard-Jones clusters up to N=330
Journal of Chemical Information and Computer Sciences, 2004, 44(1):193-199
[2] Zhuang Yadong, Zhang Ying, Wang Fang, Shao Xueguang
Analysis of polyphenols in cigarettes
Tobacco Science and Technology (Chinese Journal), 2004, 1:23-26
[3] Xueguang Shao, Fang Wang, Da Chen, Qingde Su
A method for near-infrared spectral calibration of complex plant samples with wavelet transform and elimination of uninformative variables
Analytical and Bioanalytical Chemistry, 2004, 378(5):1382-1387
[4] Xueguang Shao, Yadong Zhuang
Determination of chlorogenic acid in plant samples by using near-infrared spectrum with wavelet transform preprocessing
Analytical Sciences, 2004, 20(3):451-454
[5] Wang Fang, Chen Da, Shao Xueguang
Application of wavelet transform and partial least square in prediction of common chemical compositions in tobacco samples
Tobacco Science and Technology (Chinese Journal), 2004, 3:31-34
[6] Chaoxiong Ma, Xueguang Shao
Continuous wavelet transform applied to removing the fluctuating background in near-infrared spectra
Journal of Chemical Information and Computer Sciences, 2004, 44(3):907-911
[7] Yuhong Xiang, Haiyan Jiang, Wensheng Cai, Xueguang Shao
An efficient method based on lattice construction and the genetic algorithm for optimization of large Lennard-Jones clusters
Journal of Physical Chemistry A, 2004, 108(16):3586-3592
[8] Shao Nan, Cai Wensheng, Shao Xueguang, Pan Zhongxiao
Structural optimization and configurational transition of Cn(n=2-20)
Computers and Applied Chemistry (Chinese Journal), 2004, 21(2):186-190
[9] Longjiu Cheng, Wensheng Cai, Xueguang Shao
A connectivity table for cluster similarity checking in the evolutionary optimization method
Chemical Physics Letters, 2004, 389(4-6):309-314
[10] Wensheng Cai, Nan Shao, Xueguang Shao, Zhongxiao Pan
Structural analysis of carbon clusters by using a global optimization algorithm with Brenner potential
Journal of Molecular Structure: THEOCHEM, 2004, 678(1-3):113-118
[11] Da Chen, Bin Hu, Xueguang Shao, Qingde Su
Removal of major interference sources in aqueous near-infrared spectroscopy techniques
Analytical and Bioanalytical Chemistry, 2004, 379(1):143-148
[12] Da Chen, Xueguang Shao, Bin Hu, Qingde Su
A background and noise elimination method for quantitative calibration of near infrared spectra
Analytica Chimica Acta, 2004, 511(1):37-45
[13] Xueguang Shao, Guoqing Wang
Quantitative prediction of the normal boiling points for organic compounds by using the gas chromatographic retention times on two columns with different polarity
Chromatographia, 2004, 59(9/10):615-620
[14] Xueguang Shao, Longjiu Cheng, Wensheng Cai
An adaptive immune optimization algorithm for energy minimization problems
Journal of Chemical Physics, 2004, 120(24):11401-11406
[15] Xueguang Shao, Zhengliang Yu, Chaoxiong Ma
An improved transmutation method for quantitative determination of the component in multicomponent overlapping chromatograms
Analytical and Bioanalytical Chemistry, 2004, 379(4):714-719
[16] Chen Da, Wang Fang, Shao Xueguang, Su Qingde
Research on the nonlinear model of near infrared spectroscopy and the total sugar of tobacco samples
Spectroscopy and Spectral Analysis (Chinese Journal), 2004, 24(6):672-674
[17] Da Chen, Bin Hu, Xueguang Shao, Qingde Su
Variable selection by modified IPW (iterative predictor weighting)-PLS (partial least squares) in continuous wavelet regression models
Analyst, 2004, 129(7):664-669
[18] Xueguang Shao, Yuhong Xiang, Wensheng Cai
Formation of the central vacancy in icosahedral Lennard-Jones clusters
Chemical Physics, 2004, 305(1-3):69-75
[19] Xueguang Shao, Guoqing Wang, Sufang Wang, Qingde Su
Extraction of mass spectra and chromatographic profiles from overlapping GC-MS signal with background
Analytical Chemistry, 2004, 76(17):5143-5148
[20] Xueguang Shao, Longjiu Cheng, Wensheng Cai
A dynamic lattice searching method for fast optimization of Lennard-Jones clusters
Journal of Computational Chemistry, 2004, 25(14):1693-1698
[21] Yuhong Xiang, Longjiu Cheng, Wensheng Cai, Xueguang Shao
Structural distribution of Lennard-Jones clusters containing 562 to 1000 atoms
Journal of Physical Chemistry A, 2004, 108(43):9516-9520
[22] Wang Guo-Qing, Wang Fang, Chen Da, Su Qing-De, Shao Xue-Guang
A novel method for the determination of inorganic ions in complex plant samples by near infrared spectroscopy
Spectroscopy and Spectral Analysis (Chinese Journal), 2004, 24(12):1540-1542