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

Title
Machine Learning Methods to Predict Density Functional Theory B3LYP Energies of HOMO and LUMO Orbitals
Authors
Keywords
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Journal
Journal of Chemical Information and Modeling
Volume 57, Issue 1, Pages 11-21
Publisher
American Chemical Society (ACS)
Online
2016-12-30
DOI
10.1021/acs.jcim.6b00340

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