Toward the design of chemical reactions: Machine learning barriers of competing mechanisms in reactant space
- Author(s)
- Stefan Heinen, Guido Falk von Rudorff, O. Anatole von Lilienfeld
- Organisation(s)
- Computational Materials Physics
- External organisation(s)
- Universität Basel, Universität Wien
- Journal
- Journal of Chemical Physics
- Volume
- 155
- No. of pages
- 10
- ISSN
- 0021-9606
- DOI
- https://doi.org/10.1063/5.0059742
- Publication date
- 08-2021
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 104017 Physical chemistry, 101014 Numerical mathematics
- Keywords
- ASJC Scopus subject areas
- Physics and Astronomy(all), Physical and Theoretical Chemistry
- Portal url
- https://ucris.univie.ac.at/portal/en/publications/toward-the-design-of-chemical-reactions-machine-learning-barriers-of-competing-mechanisms-in-reactant-space(64456d1b-9e93-45e8-9251-15601c15736d).html