@article{article4e951ea6, title = {Metal coordination study at 'AG' and 'CD' sites in crown thioether complexes through DFT calculations and hyperfine parameters}, author = {Nascimento, Rafael Rodrigues do and Lima, Filipe Camargo Dalmatti Alves de and Gonçalves, Marcos Brown and Errico, Leonardo Antonio and Renteria, Mario and Petrilli, Helena Maria}, year = {2015}, doi = {10.1007/s00894-015-2642-0}, journal = {JOURNAL OF MOLECULAR MODELING} }