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...

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Detalles Bibliográficos
Autores principales: Dutra, José Diogo L., Filho, Manoel A. M., Rocha, Gerd B., Simas, Alfredo M., Freire, Ricardo O.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2015
Materias:
Research Article
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

Internet

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

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