Terbium Uses
Sparkle Model for the Calculation of Lanthanide Complexes: AM1 Parameters for Eu(III), Gd(III), and Tb(III)
Ricardo O. Freire, Gerd B. Rocha, and Alfredo M. Simas
Inorg. Chem., 2005, 44 (9), pp 3299–3310
Supplementary information available: [1], [2]
Example:
(12-Crown-4-O,O',O'',O''')-penta-aqua-terbium, CCDC: FOPPUV
MOPAC2009 input and output files: Tb_(FOPPUV).mop Tb_(FOPPUV).arc
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., Vol. 20, No. 9, 1638, 2009.
Supplementary information available.
Example:
(1,4,8,11-tetra-azacyclotetradecane-1,4,8,11-tetra-acetato-N1,N4,N8,N11,O1,O4,O8,O11)-terbium, CCDC: CULSEH
MOPAC2009 input and output files: Tb_(CULSEH).mop Tb_(CULSEH).arc
To be submitted.
Example:
bis(1,3-Diphenyl-1,3-propanedionato-O,O')-(hydrogen tris[3-(2-pyridyl)-pyrazol-1-yl]borate)-terbium(iii), CCDC: DIFHEF
MOPAC2009 input and output files: Tb_(DIFHEF).mop Tb_(DIFHEF).arc
