2004

[177] 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
[178] 庄亚东，张映，王芳，邵学广

卷烟中多酚类物质的分析

烟草科技，2004, 1:23-26
[179] 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
[180] 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
[181 王芳，陈达，邵学广
小波变换和偏最小二乘法在烟草常规成分预测中的应用
烟草科技，2004, 3:31-34
[182] 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
[183] 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
[184] 邵楠，蔡文生，邵学广，潘忠孝

碳原子簇Cn(n=2-20)的结构优化及构型转换
计算机与应用化学，2004，21(2):186-190
[185] 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
 
[186] 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, 678:113-122
[187] 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
[188] 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
[189] 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
[190] Xueguang Shao, Longjiu Cheng, Wensheng Cai
An adaptive immune optimization algorithm for energy minimization problems

Journal of Chemical Physics, 2004, 120(24):11401-11406
[191] 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
[192] 陈达，王芳，邵学广，苏庆德
近红外光谱与烟草样品总糖含量的非线性模型研究
光谱学与光谱分析，2004, 24(6):672-674
[193] 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
[194] Xueguang Shao, Yuhong Xiang, Wensheng Cai
Formation of the central vacancy in icosahedral Lennard-Jones clusters
Chemical Physics, 2004, 305:69-75
[195] 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, 76:5143-5148
[196] 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
[197] 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, 9516-9520
[198] 王国庆, 王芳, 陈达, 苏庆德, 邵学广
近红外光谱技术用于复杂植物样品中无机离子测定的新方法
光谱学与光谱分析, 2004, 24 (12): 1540-1542