Cargando…
RM1 Semiempirical Quantum Chemistry: Parameters for Trivalent Lanthanum, Cerium and Praseodymium
The RM1 model for the lanthanides is parameterized for complexes of the trications of lanthanum, cerium, and praseodymium. The semiempirical quantum chemical model core stands for the [Xe]4f(n) electronic configuration, with n =0,1,2 for La(III), Ce(III), and Pr(III), respectively. In addition, the...
| Autores principales: | , , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Public Library of Science
2015
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4489505/ https://www.ncbi.nlm.nih.gov/pubmed/26132289 http://dx.doi.org/10.1371/journal.pone.0124372 |