Accelerating Non-Empirical Structure Determination of Ziegler–Natta Catalysts with a High-Dimensional Neural Network Potential

Post time 2024-5-22 18:56:47

journal：The Journal of Physical Chemistry C

Authors：Hiroki Chikuma; Gentoku Takasao; Toru Wada; Patchanee Chammingkwan; Jorg Behler; Toshiaki Taniike

Published date：2023-6-22

DOI：10.1021/acs.jpcc.3c01511

PDF link：https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.3c01511

Article link：http://dx.doi.org/10.1021/acs.jpcc.3c01511

Article Source：American Chemical Society (ACS)。

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Post time 2024-5-22 18:56:48

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[ACS] Accelerating Non-Empirical Structure Determination of Ziegler–Natta Catalysts with a High-Dimensional Neural Network Potential

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