Samarium Uses
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
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.
Example:
triaqua-bis(pyridine-2,6-dicarboxylato)-samarium, CCDC: CORKEZ
MOPAC2009 input and output files: Sm_(CORKEZ).mop Sm_(CORKEZ).arc
To be submitted.
Example:
tris((N-Propionic acid-2-iminoethyl)amine)-diaqua-samarium(iii), CCDC: NOWTUO
MOPAC2009 input and output files: Sm_(NOWTUO).mop Sm_(NOWTUO).arc
