S-EPMC10598515 - First-principles study of mercaptoundecanoic acid molecule adsorption and gas molecule penetration onto silver surface: an insight for corrosion protection† † Electronic supplementary information (ESI) available: Table for bond lengths and bond angles of MUA molecule and figures for different positions of MUA adsorption on Ag surface and for optimized geometries of transition and final states for gas molecular penetrations. See DOI: https://doi.org/10.1039/d3ra06040c