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Six-dimensional potential energy surface of the dissociative chemisorption of HCl on Au(111) using neural networks 期刊论文
SCIENCE CHINA-CHEMISTRY, 2014, 卷号: 57, 期号: 1, 页码: 147-155
Authors:  Liu TianHui;  Fu BiNa;  Zhang Dong H;  Zhang DH(张东辉)
Adobe PDF(1603Kb)  |  Favorite  |  View/Download:167/41  |  Submit date:2014/09/11
Potential Energy Surface  Dft Calculations  Neural Networks  Wave Packet  Six-dimensional  
Kernel k-nearest neighbor algorithm as a flexible SAR modeling tool 期刊论文
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 2012, 卷号: 114, 页码: 19-23
Authors:  Cao, Dong-Sheng;  Huang, Jian-Hua;  Yan, Jun;  Zhang, Liang-Xiao;  Hu, Qian-Nan;  Xu, Qing-Song;  Liang, Yi-Zeng
Favorite  |  View/Download:32/0  |  Submit date:2015/11/13
K-nearest Neighbor (K-nn)  Kernel Methods  String Kernel  Structure-activity Relationship (Sar)