1. Department of Chemistry, University of North Texas, Denton, Texas 76203, United States
2. Neutron Scattering Science Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States
3. Center for Advanced Scientific Computing and Modeling, University of North Texas, Denton, Texas 76203, United States
4. Department of Chemistry, Texas A&M University, College Station, Texas 77843, United States