1. Department of Theoretical Chemistry, School of Biotechnology, Royal Institute of Technology, SE-10691 Stockholm, Sweden, Institute of Crystal Materials, Shandong University, 250100 Jinan, Shandong, People’s Republic of China, and Area della Ricerca, Istituto per i Processi Chimico-Fisici del Consiglio Nazionale delle Ricerche (IPCF-CNR), Via G. Moruzzi 1, I-56124 Pisa, Italy