Tao Du1, Shanwu Li2, Sudheer Ganisetti1

  • 1Department of Chemistry and Bioscience, Aalborg University, Aalborg 9220, Denmark.

PubMed
概括

研究人员开发了一种深度学习力场,用于研究极性意达酸框架 (ZIF) 中的相位过渡. 这种方法准确地模拟了ZIF在化和玻璃形成过程中的结构演变,为金属有机框架 (MOF) 玻璃提供了洞察力.

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Crystal Field Theory - Octahedral Complexes

Crystal Field Theory
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