1. Computational and Theoretical Chemistry Group (CATCO), Department of Chemistry, Southern Methodist University, 3215 Daniel Avenue, Dallas, Texas 75275-0314, United States
2. Chemical Sciences Division, Oak Ridge National Laboratory, 1 Bethel Valley Road, Oak Ridge, Tennessee 37830, United States
3. Department of Chemistry and Physics, Center of Agrarian Sciences, Federal University of Paraíba, Areia 58397-000, Paraíba, Brazil