Enhanced descriptor identification and mechanism understanding for catalytic activity using a data-driven framework: revealing the importance of interactions between elementary steps
Author:
Affiliation:
1. Department of Chemistry, State University of New York at Stony Brook, Stony Brook, New York, 11794, USA
2. Chemistry Division, Brookhaven National Laboratory, Upton, New York, 11973, USA
Abstract
Funder
U.S. Department of Energy
Publisher
Royal Society of Chemistry (RSC)
Subject
Catalysis
Link
http://pubs.rsc.org/en/content/articlepdf/2022/CY/D2CY00284A
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