Dysprosium Uses
Sparkle model for the AM1 calculation of dysprosium (III) complexes
da Costa NB, Freire RO, Rocha GB, Simas AM
INORGANIC CHEMISTRY COMMUNICATIONS Volume: 8 Issue: 9 Pages: 831-835
Example:
tetrakis(4-(1H)-Pyridone)-bis(nitrato-O,O')-dysprosium, CCDC: YAVSOD
MOPAC2009 input and output files: Dy_(YAVSOD).mop Dy_(YAVSOD).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 Volume: 693 Issue: 10 Pages: 1952-1956
Supplementary information available.
Example:
Triaqua-tris(acetylhydrazide-N,O)-dysprosium, CCDC: CECLIF
MOPAC2009 input and output files: Dy_(CECLIF).mop Dy_(CECLIF).arc
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 Volume: 6 Issue: 7 Pages: 2019-2023
Supplementary information available.
Example:
Hexa-aqua-bis(3-nitro-1,2,4-triazol-5-onato)-dysprosium, CCDC: PALBIN
MOPAC2009 input and output files: Dy_(PALBIN).mop Dy_(PALBIN).arc
