1. Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, California 92093, United States
2. Dipartimento di Chimica e Chimica Industriale, University of Pisa, via G. Moruzzi 13, 56124 Pisa, Italy
3. Department of Chemistry, University of North Texas, Denton, Texas 76203, United States
4. Materials Science and Engineering, University of California San Diego, La Jolla, California 92093, United States
5. San Diego Supercomputer Center, University of California San Diego, La Jolla, California 92093, United States