1. Molecular Modelling of Materials Laboratory, Institute of Physical Chemistry, NRCPS “Demokritos”, 153 10 Agia Paraskevi Attikis, Greece, Laboratory of Physical Chemistry, Department of Chemistry, University of Ioannina, 451 10 Ioannina, Greece, and Laboratory of Applied Quantum Chemistry, Department of Chemistry, Aristotle University of Thessaloniki, P.O. Box 135, 540 06 Thessaloniki, Greece