Benchmark First-Principles Calculations of Adsorbate Free Energies
Author:
Affiliation:
1. Department of Chemical and Biomolecular Engineering, University of Notre Dame, Notre Dame, Indiana 46556, United States
2. Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States
Funder
University of Notre Dame
Basic Energy Sciences
Publisher
American Chemical Society (ACS)
Subject
Catalysis,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acscatal.7b03438
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