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Virtual Ligand-Assisted Screening for the Generation of Ketyl Radicals from Alkyl Ketones via Photoexcited Palladium Catalysis
Reaction Mechanisms Our group has been engaged in developing in-silico ligand-optimization methods using virtual ligands (VLs). (54−58) A VL is a mathematical model designed to approximate the electronic and steric properties of an actual ligand in quantum-chemical calculations.
Virtual Ligand-Assisted Screening for the Generation of Ketyl Radicals from Alkyl Ketones via Photoexcited Palladium Catalysis
Journal of the American Chemical Society Cite this: J. Am. Chem. Soc. 2025, XXXX, XXX Click to copy citationCitation copied! . This publication is licensed under CC-BY-NC-ND 4.0 . You are free to share (copy and redistribute) this article in any medium or format within the parameters below: Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. Non-Commercial (NC): Only non-commercial uses of the work are permitted.
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