Sparkle/AM1 Parameters for the Modeling of Samarium(III) and Promethium(III) Complexes
Ricardo O. Freire, Nivan B. da Costa Junior, Gerd B. Rocha, and Alfredo M. Simas
J. Chem. Theory Comput., 2006, 2 (1), pp 64–74
Supplementary information available.
Example:
tris(2,2'-oxydiacetato)-samarium(iii), CCDC: FUHQOO
MOPAC2009 input and output files: Sm_(FUHQOO).mop Sm_(FUHQOO).arc
