1. CNRS, ISCR–UMR 6226Université Rennes 35000 Rennes France
2. Department of Inorganic and Analytical ChemistryBudapest University of Technology and Economics Szt. Gellert ter 4 1111 Budapest Hungary
3. LPICM, CNRSEcole Polytechnique, IPParis 91128 Palaiseau France
4. LICSENNIMBE, CEACNRSCEA SaclayUniversité Paris-Saclay 91191 Gif-sur-Yvette Cedex France
5. MTA-BME Computation Driven Chemistry Research Group Szt. Gellert ter 4 1111 Budapest Hungary