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Beyond MD17: the reactive xxMD dataset.
Pengmei Z, Liu J, Shu Y. Pengmei Z, et al. Sci Data. 2024 Feb 20;11(1):222. doi: 10.1038/s41597-024-03019-3. Sci Data. 2024. PMID: 38378670 Free PMC article.
Sulfated Zirconium Metal-Organic Frameworks as Well-Defined Supports for Enhancing Organometallic Catalysis.
Syed ZH, Mian MR, Patel R, Xie H, Pengmei Z, Chen Z, Son FA, Goetjen TA, Chapovetsky A, Fahy KM, Sha F, Wang X, Alayoglu S, Kaphan DM, Chapman KW, Neurock M, Gagliardi L, Delferro M, Farha OK. Syed ZH, et al. Among authors: pengmei z. J Am Chem Soc. 2022 Sep 21;144(37):16883-16897. doi: 10.1021/jacs.2c05290. Epub 2022 Sep 11. J Am Chem Soc. 2022. PMID: 36089745