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Updated: Sep 13, 2025

Synthesis and Characterization of Functionalized Metal-organic Frameworks
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作为规则寻找者的推理语言模型:使用二维金属有机框架对C-H键激活的案例研究

He Lin1, Xiaoqi Cui1, Binglin Dai1

  • 1iChem, State Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, P. R. China.

ACS central science
|July 29, 2025
PubMed
概括

大型语言模型 (LLM) 确定了在2D Fe-terpyridine金属有机框架 (MOF) 中预测催化活性的规则. 这些LLM衍生规则增强了对催化中的结构-活动关系的理解.

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