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Ligand screening

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Category: Catalysis

Accelerating transition state search and ligand screening for organometallic catalysis with reactive machine learning potential

, Authors: Kun Tang, Yujing Zhao, Lei Zhang, Jian Du, Qingwei Meng, Qilei Liu

Version 1 posted 28 March 2025

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ISSN 2573-2293 (Online) ChemRxiv Archive

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