Toward the design of chemical reactions: Machine learning barriers of competing mechanisms in reactant space.

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Authors: Stefan Heinen; Stefan Heinen; Guido Falk von Rudorff; Guido Falk von Rudorff; O. Anatole von Lilienfeld; O. Anatole von Lilienfeld

Journal title: Journal of Chemical Physics

Journal number: 155

Journal publisher: American Institute of Physics

Published year: 2021

Published pages: 064105

DOI identifier: 10.1063/5.0059742

ISSN: 0021-9606