Metal coordination study at 'AG' and 'CD' sites in crown thioether complexes through DFT calculations and hyperfine parameters - Nascimento, Rafael Rodrigues do; Lima, Filipe Camargo Dalmatti Alves de; Gonçalves, Marcos Brown; Errico, Leonardo Antonio; Renteria, Mario; Petrilli, Helena Maria (JOURNAL OF MOLECULAR MODELING, 2015)