Understanding the Structure‐Activity Relationship of Ni‐Catalyzed Amide C−N Bond Activation using Distortion/Interaction Analysis - Xie, Pei‐Pei; Qin, Zhi‐Xin; Zhang, Shuo‐Qing; Hong, Xin (ChemCatChem, 2021)
Keywords: Amide C−N activation; Amides; Chelation; Density functional theory; DFT calculations; Distortion; Distortion/interaction analysis; Ductile-brittle transition; Energy of dissociation; Free energy; Heat of formation; Mathematical analysis; Nickel catalysis; Reagents; Structure-activity relationship; Substrates; Transition metals