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Zeolite-Encaged Pd-Mn Nanocatalysts for CO2 Hydrogenation and Formic Acid Dehydrogenation.
Angew Chem Int Ed Engl. 2020 Nov 2;59(45):20183-20191. doi: 10.1002/anie.202008962. Epub 2020 Sep 15.
Angew Chem Int Ed Engl. 2020.
PMID: 32770613
Accelerating explicit solvent models of heterogeneous catalysts with machine learning interatomic potentials.
Chen BWJ, Zhang X, Zhang J.
Chen BWJ, et al.
Chem Sci. 2023 Jul 12;14(31):8338-8354. doi: 10.1039/d3sc02482b. eCollection 2023 Aug 9.
Chem Sci. 2023.
PMID: 37564405
Free PMC article.
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Computational Methods in Heterogeneous Catalysis.
Chen BWJ, Xu L, Mavrikakis M.
Chen BWJ, et al.
Chem Rev. 2021 Jan 27;121(2):1007-1048. doi: 10.1021/acs.chemrev.0c01060. Epub 2020 Dec 22.
Chem Rev. 2021.
PMID: 33350813
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