Sparkle model for the quantum chemical A
✍
Antônio V.M. de Andrade; Nivan B. da Costa Jr.; Alfredo M. Simas; Gilberto F. de
📂
Article
📅
1994
🏛
Elsevier Science
🌐
English
⚖ 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