2004 (Chinese Version)
| [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] | Zhuang Yadong, Zhang Ying, Wang Fang, Shao Xueguang |
Analysis of polyphenols in cigarettes |
|
| Tobacco Science and Technology (Chinese Journal), 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] | 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 |
| [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] | 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 |
| [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 |
|
| [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] | Chen Da, Wang Fang, Shao Xueguang, Su Qingde |
| Research on the nonlinear model of near infrared spectroscopy and the total sugar of tobacco samples | |
| [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] | 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, 2004, 24 (12):1540-1542 |