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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...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
North Holland
2012
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| Materias: | |
| 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 |