A Few Questions about Single-Atom Catalysts: When Modeling Helps
Author:
Affiliation:
1. Dipartimento di Scienza dei Materiali, Università di Milano-Bicocca, via R. Cozzi 55, 20125 Milano, Italy
Funder
Fondazione Cariplo
European Cooperation in Science and Technology
Ministero dell'Universit? e della Ricerca
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Polymers and Plastics,Materials Science (miscellaneous),Chemical Engineering (miscellaneous)
Link
https://pubs.acs.org/doi/pdf/10.1021/accountsmr.2c00118
Reference55 articles.
1. Van Santen, R. A., Sautet, P., Eds. Computational Methods in Catalysis and Materials Science; Wiley-VCH: Weinheim, 2009; p 27.
2. Electronic Structure
3. Extended tight‐binding quantum chemistry methods
4. Computational Chemistry: The Fate of Current Methods and Future Challenges
5. Heterogeneous single-atom catalysis
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