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Successes and challenges in using machine-learned activation energies in kinetic simulations. (2022)

First Author: Ismail I

Attributed to: Accelerating catalyst design using reaction-path data mining funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1063/5.0096027

PubMed Identifier: 35803803

Publication URI: http://europepmc.org/abstract/MED/35803803

Type: Journal Article/Review

Volume: 157

Parent Publication: The Journal of chemical physics

Issue: 1

ISSN: 0021-9606