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Thousands of reactants and transition states for competing E2 and S$_\mathrm{N}$2 reactions

Type of publication Peer-reviewed
Publikationsform Original article (peer-reviewed)
Author von Rudorff Guido Falk, Heinen Stefan N, Bragato Marco, von Lilienfeld O Anatole,
Project Sampling chemical space with alchemical perturbation theory
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Original article (peer-reviewed)

Journal Machine Learning: Science and Technology
Volume (Issue) 1(4)
Page(s) 045026 - 045026
Title of proceedings Machine Learning: Science and Technology
DOI 10.1088/2632-2153/aba822

Open Access

URL http://doi.org/10.1088/2632-2153/aba822
Type of Open Access Publisher (Gold Open Access)

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