Holmium Uses
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:
aqua-(1,4,7,10-tetra-azacyclododecane-1,4,7,10-tetra-acetato)-holmium(iii), CCDC: GODKOZ
MOPAC2009 input and output files: Ho_(GODKOZ).mop Ho_(GODKOZ).arc
Lanthanide coordination compounds modeling: Sparkle/PM3 parameters for dysprosium (III), holmium (III) and erbium (III)
Simas, Alfredo M. Freire, Ricardo O. Rocha, Gerd B.
JOURNAL OF ORGANOMETALLIC CHEMISTRY, 2008, 693 (10), pp 1952-1956
Supplementary information available.
Example:
Hexaaqua-bis(saccharinato-O)-holmium(iii), CCDC: FAGYOC
MOPAC2009 input and output files: Ho_(FAGYOC).mop Ho_(FAGYOC).arc
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
