Predictive simulations of core electron binding energies of halogenated species adsorbed on ice surfaces from relativistic quantum embedding calculations

We acknowledge support by the French government through the Program "Investissement d'avenir" through the Labex CaPPA (contract ANR-11-LABX-0005-01), the I-SITE ULNE project OVERSEE and MESONM International Associated Laboratory (LAI) (contract ANR-16-IDEX-0004), the Franco-German project CompRIXS (Agence nationale de la recherche ANR-19-CE29-0019, Deutsche Forschungsgemeinschaft JA 2329/6-1), CPER CLIMIBIO (European Regional Development Fund, Hauts de France council, French Ministry of Higher Education and Research) and French national supercomputing facilities (grants DARI A0050801859, A0070801859, and A0090801859 ).