PM3

Sparkle/PM3 Parameters for the Modeling of Neodymium(III), Promethium(III), and Samarium(III) Complexes

Ricardo O. Freire, Nivan B. da Costa, Jr., Gerd B. Rocha, and Alfredo M. Simas

J. Chem. Theory Comput., 2007, 3 (4), pp 1588–1596

Supplementary information available.