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(Nitrato-O,O')-bis(1,10-phenanthroline-N,N')-europium, CCDC: ECABOZ
MOPAC2009 input and output files: Eu_(ECABOZ).mop Eu_(ECABOZ).arc
