Hammett neural networks: prediction of frontier orbital energies of tungsten–benzylidyne photoredox complexes

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Chem. Sci., 2019, Advance ArticleDOI: 10.1039/C9SC02339A, Edge Article Open Access &nbsp This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Alexander M. Chang, Jessica G. Freeze, Victor S. BatistaThe successful application of Hammett parameters as input features for regressive machine learning models is demonstrated and applied to predict energies of frontier orbitals of highly reducing tungsten–alkylidyne complexes of the form W(?CArR)L4X.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry

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