John McGrady

John McGrady is a Professor of Computational Inorganic Chemistry at the University of Oxford, affiliated with the Department of Chemistry. His research focuses on the electronic structure of inorganic systems, including molecular and solid-state transition-metal chemistry, main-group reactivity, and the application of diverse computational methodologies such as DFT, CASSCF, and other advanced electronic structure techniques. His work explores the electronic structure of Zintl-ion clusters, metal cluster compounds, and metal-metal bonds, often in collaboration with international research groups. McGrady has held academic positions at the University of York, University of Glasgow, and is also a tutorial Fellow and Tutor for Admissions at New College, Oxford.

John McGrady's research focuses on the activation of C−F and C−H bonds at transition metal centers, with an emphasis on zerovalent Ni and Pt catalysts. His work explores the mechanisms of oxidative addition, transmetalation, and reductive elimination processes, as well as the role of ligands in influencing bond activation pathways. McGrady also investigates the electronic and structural properties of metal complexes, including dinuclear palladium precatalysts and endohedral clusters such as [Ru@Ge12]3−. His studies integrate experimental and theoretical approaches to understand bonding and reactivity in inorganic and organometallic systems.