Supplementary data for Asynchronous Radical Addition Coupled Two-Electron Transfer in P450-Catalyzed Arene Oxidation

This dataset contains supplementary data for the paper entitled with "Asynchronous Radical Addition Coupled Two-Electron Transfer in P450-Catalyzed Arene Oxidation". In this data set, xyz files contain all optimized geometries of intermediates and transition states involved in the mechanism, and pop files contain alpha, beta, and spin density difference population number on each atom.