1. University of Minnesota, Department of Chemistry, Minnesota Supercomputing Institute, Minneapolis, Minnesota 55455, United States
2. Department of Nuclear Engineering, University of Tennessee, Knoxville, Tennesee 37996, United States
3. Department of Earth and Planetary Sciences, Department
of Chemistry; University of California, Davis, California 95616, United States
4. Department of Civil and Environmental Engineering and Earth Sciences, University of Notre Dame, Notre Dame, Indiana 46556, United States
5. Chemical
and Engineering Materials Division, Oak Ridge National Laboratory, Oak
Ridge, Tennessee 37831, United States
6. Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States