Computed data for the paper "Deciphering Faujasite Zeolite Dealumination at the Atomic Scale" by Z. Wang, T. Jarrin, [...], G. Pirngruber, C. Chizallet, A. Lesage, https://doi.org/10.1021/acscatal.4c03036

The presented data correspond to NMR calculations done with the VASP code, for models of zeolite faujasite (bulk and external surfaces, possibly with defects), silica, and amorphous silica-alumina surfaces. For details on the format of the files, see https://www.vasp.at/wiki/index.php/The_VASP_Manual. The date correspond to the following paper: ACS Catal. 2024, 14, 24, 18442–18456, https://doi.org/10.1021/acscatal.4c03036