Sparkle/AM1 Structure Modeling of Lanthanum (III) and Lutetium (III) Complexes
Ricardo O. Freire, Nivan B. da CostaJr., Gerd B. Rocha, and Alfredo M. Simas
J. Phys. Chem. A, 2006, 110 (17), pp 5897–5900
Supplementary information available.
Example:
(triethylenetetra-aminehexa-acetato)-lanthanum(iii), CCDC: XALSOS
MOPAC2009 input and output files: La_(XALSOS).mop La_(XALSOS).arc
