1. Department of Chemistry and Biochemistry, University of California, San Diego, La Jolla, California 92093, USA
2. Department of Chemistry, University of Utah, Salt Lake City, Utah 84112, USA
3. Materials Science and Engineering, University of California San Diego, La Jolla, California 92093, USA
4. San Diego Supercomputer Center, University of California San Diego, La Jolla, California 92093, USA