MR-CISD investigation (including extensivity corrections) of Rydberg n-3 s and n-3p states of the smallest ionized HCl-water cluster
The [H3O(H2O)3]+Cl− ion-pair is the smallest cluster of ionized HCl in water. It has been demonstrated experimentally that it can be formed in conditions compatible with the interstellar medium (ISM). It is also a precursor of another ion-pair, H3O+(MetOH)3Cl−, suggested as an important prebiotic species in the ISM. Ai...