Teobaldo Cuya1, Tanos Celmar Costa França2,3. 1. Department of Mathematics, Physics and Computation, Faculty of Technology, University of the State of Rio de Janeiro, Resende, Brazil. 2. Laboratory of Molecular Modeling Applied to the Chemical and Biological Defense (LMCBD), Military Institute of Engineering, Rio de Janeiro, Brazil. 3. Department of Chemistry, Faculty of Science, University of Hradec Kralove, Hradec Kralové, Czech Republic.