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Sparkle/AM1 Structure Modeling of Lanthanum (III) and Lutetium (III) Complexes

✍ Scribed by Freire, Ricardo O.; da Costa, Nivan B.; Rocha, Gerd B.; Simas, Alfredo M.


Book ID
120867621
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
91 KB
Volume
110
Category
Article
ISSN
1089-5639

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Modeling lanthanide complexes: Sparkle/A
✍ Ricardo O. Freire; Gerd B. Rocha; Alfredo M. Simas πŸ“‚ Article πŸ“… 2005 πŸ› John Wiley and Sons 🌐 English βš– 83 KB

## Abstract The Sparkle/AM1 model is extended to ytterbium (III) complexes. Thus, a set of 15 complexes, with various representative ligands, chosen to be representative of all complexes of high crystallographic quality (R‐factor <0.05 Γ…) in the Cambridge Crystallographic Database, and which posses