Integrating DFT and machine learning for a dual-descriptor strategy in Gold(I) catalyst design: π-bond activation and orbital interactions

Journal of Catalysis 2026

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Authors: Simeng Qi, Ran Fang, Lizi Yang

DOI: 10.1016/j.jcat.2026.116767

Cited by: 2

References: 47

Fields of Study & Subjects

Catalytic Alkyne Reactions Machine Learning in Materials Science Organometallic Complex Synthesis and Catalysis

References 47