1. Department of Civil and Environmental Engineering, The George Washington University, Washington, District of Columbia 20052, United States
2. Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24061, United States
3. Department of Chemistry, United States Naval Academy, Annapolis, Maryland 21402, United States
4. Chemistry Division, United States Naval Research Laboratory, Washington, District of Columbia 20375, United States
5. Texas Advanced Computing Center, The University of Texas at Austin, Austin, Texas 78758, United States