Sparkle/AM1 Structure Modeling of Lanthanum (III) and Lutetium (III) Complexes
Ricardo O. Freire, Nivan B. da Costa Jr., Gerd B. Rocha, and Alfredo M. Simas
J. Phys. Chem. A, 2006, 110 (17), pp 5897–5900
Supplementary information available.
Example:
(tris(2-(Salicylidenamino)ethyl)amine)-lutetium, CCDC: VEQGAZ
MOPAC2009 input and output files: Lu_(VEQGAZ).mop Lu_(VEQGAZ).arc
