Sparkle/AM1 modeling of holmium (III) complexes
da Costa NB, Freire RO, Rocha GB, Simas AM
POLYHEDRON, 2005, 24 (18), pp 3046-3051
Supplementary information available.
Example:
Diaqua-bis(nitrato-O,O')-(2,2':6',2''-terpyridine)-holmium(iii), CCDC: XAWVOG
MOPAC2009 input and output files: Ho_(XAWVOG).mop Ho_(XAWVOG).arc
