Binding Energies of Interstellar Relevant S-bearing Species on Water Ice Mantles: A Quantum Mechanical Investigation

This Supporting Material contains:

Fractional coordinates of DFT optimized adsorption complexes for crystalline periodic ice models in .mol format, editable with MOLDRAW, using CRYSTAL17 computer code;

Fractional coordinates of HF-3c optimized adsorption complexes for amorphous periodic ice models in .mol format, editable with MOLDRAW, using CRYSTAL17 computer code;

Images of the adsorption features at crystalline periodic ice models, in which electrostatic potential maps, spin density maps (when available) and vibrational features are displayed;

A pdf file with a thorough guide to the computation of BEs and the basis sets employed for the calculations.