Samarium Uses
Sparkle/PM6 Parameters for all Lanthanide Trications from La(III) to Lu(III)
Ricardo O. Freire and Alfredo M. Simas
Journal of Chemical Theory and Computation, 2010, 6 (7), pp 2019-2023
Supplementary information available.
Example:
tris((N-Propionic acid-2-iminoethyl)amine)-diaqua-samarium(iii), CCDC: NOWTUO
MOPAC2009 input and output files: Sm_(NOWTUO).mop Sm_(NOWTUO).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
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
