1. Department
of Natural Science, Universidade Federal de São João Del Rei, 36301-160 São João Del Rei, Minas Gerais, Brazil
2. Department
of Chemistry, CMS (Centre for Molecular Simulation),
IQST (Institute for Quantum Science and Technology) and ISEEE (Institute
for Sustainable Energy, Environment and Economy), University of Calgary, 2500 University
Drive NW, Calgary, Alberta, Canada T2N 1N4
3. Grupo de Pesquisa
em Química Inorgânica Teórica − GPQIT, Department of Chemistry − ICEx, Universidade Federal de Minas Gerais, 31.270-901 Belo Horizonte, Minas Gerais, Brazil