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Modeling the solvation shell of complexes in solution for quantum chemical calculations of electronic spectra

✍ Scribed by O. V. Sizova; V. V. Sizov


Publisher
SP MAIK Nauka/Interperiodica
Year
2006
Tongue
English
Weight
256 KB
Volume
47
Category
Article
ISSN
0022-4766

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Sparkle model for the quantum chemical A
✍ AntΓ΄nio V.M. de Andrade; Nivan B. da Costa Jr.; Alfredo M. Simas; Gilberto F. de πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 450 KB

Considering that the bonds between a lanthanide and its ligands essentially possess an electrostatic character, we propose the representation of rare-earth elements within AM 1 as sparkles. To parametrize the sparkle model we have used the known geometry of the complex tris (acetylacetonate) ( 1, l