1. Department of Chemistry, Stony Brook University, Stony Brook, New York 11794, USA
2. Computational Science Center, Brookhaven National Laboratory, Upton, New York 11973, USA
3. Center for Functional Nanomaterials, Brookhaven National Laboratory, Upton, New York 11973, USA
4. Chemistry Department, Brookhaven National Laboratory, Upton, New York 11973, USA