Ytterbium Uses
Modeling lanthanide complexes: Sparkle/AM1 parameters for ytterbium (III)
Ricardo O. Freire, Gerd B. Rocha, Alfredo M. Simas
Journal of Computational Chemistry, Volume 26 Issue 14, Pages 1524 - 1528
Supplementary information available.
Example:
Diaqua-bis(nitrato-O,O')-(2,2':6',2''-terpyridine)-ytterbium, CCDC: EFIZUO
MOPAC2009 input and output files: Yb_(EFIZUO).mop Yb_(EFIZUO).arc
Sparkle/PM3 parameters for praseodymium(III) and ytterbium(III)
Ricardo O. Freire, Gerd B. Rocha, and Alfredo M. Simas
Chemical Physics Letters, Volume 441, Issues 4-6, 2007, Pages 354-357
Example:
Aqua-tris(N,N,N',N'-tetramethylsuccinamide-O,O')-ytterbium(iii), CCDC: QAKXIJ
MOPAC2009 input and output files: Yb_(QAKXIJ).mop Yb_(QAKXIJ).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:
(Bromo-N,N,N',N'-tetraethylmalonamide)-bis(nitrato-O,O')-triaqua-ytterbium(iii), CCDC: NENTOP
MOPAC2009 input and output files: Yb_(NENTOP).mop Yb_(NENTOP).arc
