RESEARCH PAPER · ACS Catalysis · 2026
Automated DFT-Machine Learning Integration Enables Data-Efficient and Generalizable Feasibility Predictions in Metallaphotoredox sp 2 –sp 3 Cross-Coupling Reactions
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DFT insights into Suzuki–Miyaura cross-coupling: mechanism, metal effects, and computational challenges
Reaction Chemistry & Engineering · 2026-01-01
Dulal Musib
Read original paper ↗ ·Using Data Science Tools to Explore Rate Matching in a Nickel-Catalyzed Cross-Electrophile Coupling of Alkyl and Aryl Halides (Cl, Br) with a Tridentate Monoanionic Ligand
Journal of the American Chemical Society · 2026-09-21
Haruka Takenaka, Alexandra J. Ring, Avijit Hazra, Therese H. Wild, S. M. Powell, Tianhua Tang, Sarah E. Reisman, Matthew S. Sigman
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