1. Department of Chemistry and Chemical Biology University of New Mexico Albuquerque, NM 87131 USA
2. Departamento de Química Laboratório Computacional de Espectroscopia e Cinética Faculdade de Filosofia Ciências e Letras de Ribeirão Preto Universidade de São Paulo 14040-901 Ribeirão Preto-SP Brazil
3. Department of Chemistry Chemical Theory Center, and Minnesota Supercomputing Institute University of Minnesota Minneapolis Minnesota 55455-0431 USA