Synthesis of urea on the surface of interstellar water ice clusters.

The Supporting Material contains the cartesian coordinates of B3LYP-D3(BJ)/ma-def2-TZVP optimized minima and transition state for the reaction studied in the paper, in .xyz format, computed using ORCA code. The folders are relative to: gas phase reactions; reactions modelled on the 18 water molecules cluster: closed-shell + closed-shell; closed-shell + radical; radical + radical (2 outcomes); ion-pair formation (2 pathways);