Computational study of the cerium(III) ion in aqueous environment

This work comprises the first quantum chemical simulation study of the Ce(3+) ion in aqueous environment. The structural and dynamical properties have been investigated by means of the quantum mechanical charge field (QMCF) molecular dynamics (MD) approach and the results, where applicable, have bee...

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Detalles Bibliográficos
Autores principales: Lutz, Oliver M.D., Hofer, Thomas S., Randolf, Bernhard R., Rode, Bernd M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: North Holland 2012
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3617731/
https://www.ncbi.nlm.nih.gov/pubmed/23564963
http://dx.doi.org/10.1016/j.cplett.2012.05.023

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3617731/
https://www.ncbi.nlm.nih.gov/pubmed/23564963
http://dx.doi.org/10.1016/j.cplett.2012.05.023

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