Source data and Computational Structures for Self-driven propylene epoxidation on modified titanium silicalite-1 by in situ generated hydrogen peroxide

This file includes two items:Source Data.xlsx: contains data for all figures in the manuscript—Main Figures 1–4 (numerical measurements and summary statistics), Extended Data Figures 1–7 (raw and processed values with sample metadata), and Supplementary Figures S1–S46 (numerical measurements and summary statistics). Worksheets are labeled by figure number and panel, with columns for sample ID, units, and statistics.Supplementary Data 1.zip: contains four DFT .xyz coordinate files (Opt_NEB_Coord_MFI_di_Ti_Na_PE_Ox, Opt_NEB_Coord_MFI_di_Ti_PE_Ox, Opt_NEB_Coord_MFI_mono_Ti_Na_PE_Ox, Opt_NEB_Coord_MFI_mono_Ti_PE_Ox) and Supplementary Data 1 Legend.doc, which describes each file’s contents and naming conventions.