Juan J. Novoa1 and Manuel F. Ruiz-Lopez2 (1)Departament de Química Física & IQTCUB, Facultat de Química, Universitat de Barcelona, Av. Diagonal 645, Barcelona, 08028, Spain (2)SRSMC, Theoretical Chemistry and Biochemistry Group, University of Lorraine, CNRS, 54506 Vandoeuvre-les-Nancy, FranceJuan J. Novoa (Corresponding author) Email: juan.novoa@ub.edu Manuel F. Ruiz-Lopez (Corresponding author) Email: Manuel.Ruiz@univ-lorraine.fr