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51

A fast annealing evolutionary algorithm for global optimization

Wensheng Cai, Xueguang Shao

Journal:

Journal of Computational Chemistry

Year:

2002

Language:

english

File:

PDF, 136 KB

english, 2002

52

A dynamic lattice searching method for fast optimization of Lennard–Jones clusters

Xueguang Shao, Longjiu Cheng, Wensheng Cai

Journal:

Journal of Computational Chemistry

Year:

2004

Language:

english

File:

PDF, 106 KB

english, 2004

53

A dynamic lattice searching method with constructed core for optimization of large lennard-jones clusters

Xiaoli Yang, Wensheng Cai, Xueguang Shao

Journal:

Journal of Computational Chemistry

Year:

2007

Language:

english

File:

PDF, 340 KB

english, 2007

54

A dynamic lattice searching method with interior operation for unbiased optimization of large Lennard-Jones clusters

Xueguang Shao, Xiaoli Yang, Wensheng Cai

Journal:

Journal of Computational Chemistry

Year:

2008

Language:

english

File:

PDF, 271 KB

english, 2008

55

Optimization of bimetallic Cu–Au and Ag–Au clusters by using a modified adaptive immune optimization algorithm

Xia Wu, Wensheng Cai, Xueguang Shao

Journal:

Journal of Computational Chemistry

Year:

2009

Language:

english

File:

PDF, 343 KB

english, 2009

56

Impact of different potentials on the structures and energies of clusters

Zhinan Ma, Wensheng Cai, Xueguang Shao

Journal:

Journal of Computational Chemistry

Year:

2011

Language:

english

File:

PDF, 578 KB

english, 2011

57

Application of the wavelet transform method in quantitative analysis of Raman spectra

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

Journal:

Journal of Raman Spectroscopy

Year:

2001

Language:

english

File:

PDF, 141 KB

english, 2001

58

Corrosion failure analysis of stainless steel components for maleic anhydride plant

Wei Wu, Guangxu Cheng, Wensheng Zhu, Congmin Xu, Heping Cai

Journal:

Engineering Failure Analysis

Year:

2010

Language:

english

File:

PDF, 661 KB

english, 2010

59

Removing uncertain variables based on ensemble partial least squares

Da Chen, Wensheng Cai, Xueguang Shao

Journal:

Analytica Chimica Acta

Year:

2007

Language:

english

File:

PDF, 390 KB

english, 2007

60

An improved boosting partial least squares method for near-infrared spectroscopic quantitative analysis

Xueguang Shao, Xihui Bian, Wensheng Cai

Journal:

Analytica Chimica Acta

Year:

2010

Language:

english

File:

PDF, 219 KB

english, 2010

61

High current density M-type cathodes for vacuum electron devices

Ji Li, Zhiqiang Yu, Wensheng Shao, Ke Zhang, Yujuan Gao, Haiqing Yuan, Hui Wang, Kaizhi Huang, Qilue Chen, Suqiu Yan, Shaolun Cai

Journal:

Applied Surface Science

Year:

2005

Language:

english

File:

PDF, 660 KB

english, 2005

62

Application of genetic stochastic resonance algorithm to quantitative structure–activity relationship study

Weimin Guo, Wensheng Cai, Xueguang Shao, Zhongxiao Pan

Journal:

Chemometrics and Intelligent Laboratory Systems

Year:

2005

Language:

english

File:

PDF, 423 KB

english, 2005

63

Studies on the interaction of α-cyclodextrin with phospholipid by a flexible docking algorithm

Wensheng Cai, Yanmin Yu, Xueguang Shao

Journal:

Chemometrics and Intelligent Laboratory Systems

Year:

2006

Language:

english

File:

PDF, 418 KB

english, 2006

64

A primary study on resolution of overlapping GC-MS signal using mean-field approach independent component analysis

Guoqing Wang, Wensheng Cai, Xueguang Shao

Journal:

Chemometrics and Intelligent Laboratory Systems

Year:

2006

Language:

english

File:

PDF, 234 KB

english, 2006

65

Representative subset selection in modified iterative predictor weighting (mIPW) — PLS models for parsimonious multivariate calibration

Da Chen, Wensheng Cai, Xueguang Shao

Journal:

Chemometrics and Intelligent Laboratory Systems

Year:

2007

Language:

english

File:

PDF, 504 KB

english, 2007

66

A variable selection method based on uninformative variable elimination for multivariate calibration of near-infrared spectra

Wensheng Cai, Yankun Li, Xueguang Shao

Journal:

Chemometrics and Intelligent Laboratory Systems

Year:

2008

Language:

english

File:

PDF, 519 KB

english, 2008

67

Multiblock partial least squares regression based on wavelet transform for quantitative analysis of near infrared spectra

Ming Jing, Wensheng Cai, Xueguang Shao

Journal:

Chemometrics and Intelligent Laboratory Systems

Year:

2010

Language:

english

File:

PDF, 232 KB

english, 2010

68

Formation of the central vacancy in icosahedral Lennard-Jones clusters

Xueguang Shao, Yuhong Xiang, Wensheng Cai

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 473 KB

english, 2004

69

Fullerenes connected nanotubes: An approach to build multidimensional carbon nanocomposites

Yi Lin, Wensheng Cai, Xueguang Shao

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 1.09 MB

english, 2006

70

A dynamic lattice searching method with rotation operation for optimization of large clusters

Xia Wu, Wensheng Cai, Xueguang Shao

Journal:

Chemical Physics

Year:

2009

Language:

english

File:

PDF, 774 KB

english, 2009

71

Sequential extraction of mass spectra and chromatographic profiles from overlapping gas chromatography–mass spectroscopy signals

Zhichao Liu, Wensheng Cai, Xueguang Shao

Journal:

Journal of Chromatography A

Year:

2008

Language:

english

File:

PDF, 260 KB

english, 2008

72

Consensus analysis of multiple classifiers using non-repetitive variables: Diagnostic application to microarray gene expression data

Zhenqiang Su, Huixiao Hong, Roger Perkins, Xueguang Shao, Wensheng Cai, Weida Tong

Journal:

Computational Biology and Chemistry

Year:

2007

Language:

english

File:

PDF, 833 KB

english, 2007

73

A connectivity table for cluster similarity checking in the evolutionary optimization method

Longjiu Cheng, Wensheng Cai, Xueguang Shao

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 293 KB

english, 2004

74

An energy-based perturbation and a taboo strategy for improving the searching ability of stochastic structural optimization methods

Longjiu Cheng, Wensheng Cai, Xueguang Shao

Journal:

Chemical Physics Letters

Year:

2005

Language:

english

File:

PDF, 173 KB

english, 2005

75

A theoretical investigation of small Si/C clusters by a combination of MM and QM method

Huan Zhan, Wensheng Cai, Qingxiang Guo, Xueguang Shao

Journal:

Chemical Physics Letters

Year:

2005

Language:

english

File:

PDF, 298 KB

english, 2005

76

Structural optimization of silver clusters from Ag61 to Ag120 by dynamic lattice searching method

Huan Zhan, Longjiu Cheng, Wensheng Cai, Xueguang Shao

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 528 KB

english, 2006

77

Geometry optimization and structural distribution of silver clusters from Ag170 to Ag310

Xueguang Shao, Xiaoli Yang, Wensheng Cai

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 434 KB

english, 2008

78

The use of glycolipids inserted in color-changeable polydiacetylene vesicles, as targets for biological recognition

Paul Boullanger, Dominique Lafont, Marie-Noëlle Bouchu, Long Jiang, Tao Liu, Wensheng Lu, Cai Xin Guo, Jinru Li

Journal:

Comptes Rendus Chimie

Year:

2008

File:

PDF, 1.68 MB

2008

79

A strategy for enhancing the quantitative determination ability of the diffuse reflectance near-infrared spectroscopy

Yong Hao, Wensheng Cai, Xueguang Shao

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2009

Language:

english

File:

PDF, 222 KB

english, 2009

80

Structural analysis of carbon clusters by using a global optimization algorithm with Brenner potential

Wensheng Cai, Nan Shao, Xueguang Shao, Zhongxiao Pan

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2004

Language:

english

File:

PDF, 530 KB

english, 2004

81

The density functional theory study on the 1,3-dipolar cycloaddition of carbon-methyl nitrone with acrlonitrile

Xiaomin Sun, Manhui Wang, Peng Liu, Wensheng Bian, Dacheng Feng, Zhengting Cai

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2004

Language:

english

File:

PDF, 316 KB

english, 2004

82

Comparison studies of fullerenes C72, C74, C76 and C78 by tight-binding Monte Carlo and quantum chemical methods

Yi Lin, Wensheng Cai, Xueguang Shao

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2006

Language:

english

File:

PDF, 224 KB

english, 2006

83

Formation and stability of parallel carbon nanotube junctions

Yi Lin, Wensheng Cai, Xueguang Shao

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2006

Language:

english

File:

PDF, 478 KB

english, 2006

84

Performance of the semiempirical AM1, PM3, MNDO, and tight-binding methods in comparison with DFT method for the large fullerenes C116–C120

Lei Xu, Wensheng Cai, Xueguang Shao

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2007

Language:

english

File:

PDF, 436 KB

english, 2007

85

Resolving multi-component overlapping GC-MS signals by immune algorithms

Xueguang Shao, Zhichao Liu, Wensheng Cai

Journal:

TrAC Trends in Analytical Chemistry

Year:

2009

Language:

english

File:

PDF, 547 KB

english, 2009

86

A strategy for enhancing the reliability of near-infrared spectral analysis

Da Chen, Wensheng Cai, Xueguang Shao

Journal:

Vibrational Spectroscopy

Year:

2008

Language:

english

File:

PDF, 240 KB

english, 2008

87

Global optimization of (C60)N molecular clusters

Wensheng Cai, Yan Feng, Xueguang Shao, Zhongxiao Pan

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 366 KB

english, 2002

88

Study on gelation of partially hydrolyzed polyacrylamide with titanium(IV)

Wensheng Cai, Ronghua Huang

Journal:

European Polymer Journal

Year:

2001

Language:

english

File:

PDF, 356 KB

english, 2001

89

Studies of phase transition of aqueous solution of poly(N,N-diethylacrylamide-co-acrylic acid) by differential scanning calorimetry and spectrophotometry

L.-H Gan, Wensheng Cai, K.C Tam

Journal:

European Polymer Journal

Year:

2001

Language:

english

File:

PDF, 253 KB

english, 2001

90

A new stochastic resonance algorithm to improve the detection limits for trace analysis

Zhongxiao Pan, Weimin Guo, Xiaojing Wu, Wensheng Cai, Xueguang Shao

Journal:

Chemometrics and Intelligent Laboratory Systems

Year:

2003

Language:

english

File:

PDF, 369 KB

english, 2003

91

Determination of the component number in overlapping multicomponent chromatogram using wavelet transform

Xueguang Shao, Wensheng Cai, Peiyan Sun

Journal:

Chemometrics and Intelligent Laboratory Systems

Year:

1998

Language:

english

File:

PDF, 290 KB

english, 1998

92

Wavelet transform and its applications in high performance liquid chromatography (HPLC) analysis

Xueguang Shao, Wensheng Cai, Zhongxiao Pan

Journal:

Chemometrics and Intelligent Laboratory Systems

Year:

1999

Language:

english

File:

PDF, 544 KB

english, 1999

93

An adaptive strategy for selecting representative calibration samples in the continuous wavelet domain for near-infrared spectral analysis

Da Chen, Wensheng Cai, Xueguang Shao

Journal:

Analytical and Bioanalytical Chemistry

Year:

2007

Language:

english

File:

PDF, 195 KB

english, 2007

94

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

L. Sun, Wensheng Cai, X. Shao

Journal:

Analytical and Bioanalytical Chemistry

Year:

2001

Language:

english

File:

PDF, 349 KB

english, 2001

95

Chiral recognition of aromatic compounds by β-cyclodextrin based on bimodal complexation

Wensheng Cai, Yanmin Yu, Xueguang Shao

Journal:

Journal of Molecular Modeling

Year:

2005

Language:

english

File:

PDF, 411 KB

english, 2005

96

A fast surface-matching procedure for protein–ligand docking

Michel E. B. Yamagishi, Natália F. Martins, Goran Neshich, Wensheng Cai, Xueguang Shao, Alexandre Beautrait, Bernard Maigret

Journal:

Journal of Molecular Modeling

Year:

2006

Language:

english

File:

PDF, 389 KB

english, 2006

97

Multiple-step virtual screening using VSM-G: overview and validation of fast geometrical matching enrichment

Alexandre Beautrait, Vincent Leroux, Matthieu Chavent, Léo Ghemtio, Marie-Dominique Devignes, Malika Smaïl-Tabbone, Wensheng Cai, Xuegang Shao, Gilles Moreau, Peter Bladon, Jianhua Yao, Bernard Maigre

Journal:

Journal of Molecular Modeling

Year:

2008

Language:

english

File:

PDF, 626 KB

english, 2008

98

SHEF: a vHTS geometrical filter using coefficients of spherical harmonic molecular surfaces

Wensheng Cai, Jiawei Xu, Xueguang Shao, Vincent Leroux, Alexandre Beautrait, Bernard Maigret

Journal:

Journal of Molecular Modeling

Year:

2008

Language:

english

File:

PDF, 309 KB

english, 2008

99

Bimodal Complexations of Steroids with Cyclodextrins by a Flexible Docking Algorithm

Wensheng Cai, Xuexia Yao, Xueguang Shao, Zhongxiao Pan

Journal:

Journal of Inclusion Phenomena and Macrocyclic Chemistry

Year:

2005

Language:

english

File:

PDF, 5.55 MB

english, 2005

100

A Simulation on the Complexation of Cyclodextrins with Phospholipid Headgroups

Yan-Min Yu, Wensheng Cai, Xueguang Shao

Journal:

Journal of Inclusion Phenomena and Macrocyclic Chemistry

Year:

2006

Language:

english

File:

PDF, 555 KB

english, 2006