Yasushi Obora

Mechanistic Elucidation of Silylation with Disilane via π-Allylpalladium Intermediates: Combined Experimentation and Automated Reaction Pathway Exploration

Abstract We report a comprehensive mechanistic study combining experimental investigations, global reaction route mapping (GRRM)/artificial force-induced reaction (AFIR)-based automated reaction path exploration, and density functional theory (DFT) calculations. The computational...