化学信息学实验室
2001年发表的部分论文目录

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2001

[1]

Wensheng Cai, Baoyun Xia, Xueguang Shao, Qingxiang Guo, B. Maigret, Zhongxiao Pan

 

Molecular interactions of a -cyclodextrin inclusion complexes using a genetic algorithm

Journal of Molecular Structure: TheoChem, 2001, 535(1-3):115-119

doi:10.1016/S0166-1280(00)00585-6

 

[2]

邵学广,李梅青

 

子窗口分析法用于?嫉玖?span lang=EN-US>GC-MS重叠峰的解析

色谱2001, 19(2):184-187

 

[3]

Wensheng Cai, Liya Wang, Zhongxiao Pan, Jian Zuo, Cunyi Xu, Xueguang Shao

 

Application of Wavelet Transform in Quantitative Analysis of Raman Spectrum

Journal of Raman Spectroscopy, 2001, 32(3):207-209

doi:10.1002/jrs.688

 

[4]

Xueguang Shao, Li Sun

 

An application of the continuous wavelet transform to resolution of multicomponent overlapping analytical signals

Analytical Letters, 2001, 34(2): 267-280

doi:10.1081/AL-100001578

 

[5]

夏保云,蔡文生,邵学广,潘忠孝

 

改进的遗传算法用于氩原子簇的结构优化

计算机与应用化学2001, 18(2):139-142

 

[6]

邵学广,孙莉

 

免疫-遗传算法用于混合物重叠核磁共振信号解析

高等学校化学学报, 2001, 22(4):552-555

 

[7]

Li Sun, Wensheng Cai, Xueguang Shao*

 

A two-dimensional immune algorithm for resolution of overlapping two-way chromatograms

Fresenius' Journal of Analytical Chemistry, 2001, 370(1):16-21

doi: 10.1007/s002160100724

 

[8]

陈宗海,林祥钦,邵学广,邓兆祥

 

傅里叶变换用于快扫伏安法的电流分离

分析化学, 2001, 29(6): 625-628

 

[9]

邵学广,孙莉

 

免疫算法用于多组分二维色谱数据的解析

分析化学2001, 29(7):768-770

 

[10]

Wensheng Cai, Baoyun Xia, Xueguang Shao, Qingxiang Guo, B. Maigret, Zhongxiao Pan

 

Molecular docking of alpha-cyclodextrin inclusion complexes by genetic algorithm and empirical binding free energy function

Chemical Physics Letters, 2001, 342(3-4):387-396

doi:10.1016/S0009-2614(01)00594-2

 

[11]

Baoyun Xia, Wensheng Cai, Xueguang Shao, Qingxiang Guo, B. Maigret, Zhongxiao Pan

 

Chiral recognition study for the inclusion complexes of amino acids with alpha-cyclodextrin using a fast annealing evolutionary algorithm

Journal of Molecular Structure: TheoChem, 2001, 546:33-38

doi:10.1016/S0166-1280(01)00434-1

 

[12]

邵学广

 

化学信息学网络化教学系统的研制

化学教育, 2001, 22(11):3~4(+17)

 

[13]

Song Huiyu, Xueguang Shao, Qingde Su

 

A study on the detection of weak photoacoustic signals by stochastic resonance

Fresenius' Journal of Analytical Chemistry, 2001, 370:1087-1090

doi: 10.1007/s002160100907