Sparkle/PM3 for the Modeling of Europium(III), Gadolinium(III), and Terbium(III) Complexes
Ricardo O. Freire, Gerd B. Rocha and Alfredo M. Simas
J. Braz. Chem. Soc., 2009, 20 (9), pp. 1638
Supplementary information available.
Example:
Aqua-tris(nitrato-O,O')-((p-tolylsulfinyl)methyldi-isopropylphosphonato-O)-gadolinium(iii), CCDC: JARBUZ
MOPAC2009 input and output files: Gd_(JARBUZ).mop Gd_(JARBUZ).arc
