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TITLE: Machine Learning Estimation of Atom Condensed Fukui Functions  Full Text
AUTHORS: Qingyou Y Zhang; Fangfang F Zheng; Tanfeng F Zhao; Xiaohui H Qu; Joao Aires de Sousa;
PUBLISHED: 2016, SOURCE: MOLECULAR INFORMATICS, VOLUME: 35, ISSUE: 2
INDEXED IN: Scopus WOS CrossRef
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TITLE: A QSPR approach for the fast estimation of DFT/NBO partial atomic charges  Full Text
AUTHORS: Qingyou Y Zhang; Fangfang F Zheng; Rui Fartaria; Diogo A R S Latino; Xiaohui H Qu; Tiago Campos; Tanfeng F Zhao; Joao Aires de Sousa;
PUBLISHED: 2014, SOURCE: 8th Colloquium on Chemiometricum Mediterraneum (CCM) in CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, VOLUME: 134
INDEXED IN: Scopus WOS CrossRef