publications in 2004

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 http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/ci0340862 50 free electronic reprints are being offered at: http://pubs.acs.org/cgi-bin/download.pl?ci0340862/a7kf

[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 doi:10.1007/s00216-003-2397-9

[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 http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/ci034211+ 50 free electronic reprints are being offered at: http://pubs.acs.org/cgi-bin/download.pl?ci034211+/r7hn

[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 http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp037780t 50 free electronic reprints are being offered at: http://pubs.acs.org/cgi-bin/download.pl?jp037780t/H5jx

[184]	邵楠，蔡文生，邵学广，潘忠孝
	碳原子簇C_n(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 doi:10.1016/j.cplett.2004.03.125
[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 doi:10.1016/j.theochem.2004.03.017
[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 doi:10.1007/s00216-004-2569-2

[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 doi:10.1016/j.aca.2004.01.042

[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 doi:10.1365/s10337-004-0268-y

[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 doi:10.1063/1.1753257

[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 doi:10.1007/s00216-004-2646-6

[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 doi:10.1039/b400410h

[194]	Xueguang Shao, Yuhong Xiang, Wensheng Cai
	Formation of the central vacancy in icosahedral Lennard-Jones clusters
	Chemical Physics, 2004, 305:69-75 doi:10.1016/j.chemphys.2004.06.032

[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 http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/ac035521u 50 free electronic reprints are being offered at: http://pubs.acs.org/cgi-bin/download.pl?ac035521u/N2zR
[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 doi:10.1002/jcc.20096

[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 http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp047807o 50 free electronic reprints are being offered at: http://pubs.acs.org/cgi-bin/download.pl?jp047807o/W5HQ

[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