Machine Learning Methods to Predict Density Functional Theory B3LYP Energies of HOMO and LUMO Orbitals

标题
Machine Learning Methods to Predict Density Functional Theory B3LYP Energies of HOMO and LUMO Orbitals
作者
关键词
-
出版物
Journal of Chemical Information and Modeling
Volume 57, Issue 1, Pages 11-21
出版商
American Chemical Society (ACS)
发表日期
2016-12-30
DOI
10.1021/acs.jcim.6b00340

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