1. Quantum Chemistry and Molecular Modelling Lab, Institute of Physical and Theoretical Chemistry, Wroclaw University of Technology, Wyb. Wyspianskiego 27, 50-370 Wroclaw, Poland, Dipartimento di Chimica, Università di Siena, via Aldo Moro 2, 53100 Siena, Italy, and Chemistry Department, Bowling Green State University, Bowling Green, Ohio 43403