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Computational Methods in Heterogeneous Catalysis.
Chem Rev. 2021 Jan 27;121(2):1007-1048. doi: 10.1021/acs.chemrev.0c01060. Epub 2020 Dec 22.
Chem Rev. 2021.
PMID: 33350813
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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Zeolite-Encaged Pd-Mn Nanocatalysts for CO2 Hydrogenation and Formic Acid Dehydrogenation.
Sun Q, Chen BWJ, Wang N, He Q, Chang A, Yang CM, Asakura H, Tanaka T, Hülsey MJ, Wang CH, Yu J, Yan N.
Sun Q, et al. Among authors: chen bwj.
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
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