1. Department of Chemistry & Biochemistry, University of California Santa Barbara, Santa Barbara, California 93106, United States
2. Department of Chemistry, Westmont College, Santa Barbara, California 93108, United States
3. Department of Computer Science, University of California Santa Barbara, Santa Barbara, California 93106, United States
4. Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, Livermore, California 94550, United States