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发现分子协调环境 选择性离子结合到分子复合物的趋势 使用机器学习

Shuwen Yue1, Aditya Nandy1,2, Heather J Kulik1,2

  • 1Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States.

The journal of physical chemistry. B
|December 1, 2023
PubMed
概括

设计离子选择性材料至关重要. 这项研究发现,化学相互作用,而不仅仅是离子大小,决定了分子复合物的选择性,指导了更好的膜的发展.

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