1. Eenheid Algemene Chemie (ALGC), Member
of the QCMM VUB-UGent Alliance Research Group, Vrije Universiteit Brussel (VUB), Pleinlaan 2, B-1050 Brussels, Belgium
2. Institut de Química
Computacional i Catàlisi (IQCC) i Department de Química, Universitat de Girona, 17071 Girona, Spain