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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...

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Autori principali: Lutz, Oliver M.D., Hofer, Thomas S., Randolf, Bernhard R., Rode, Bernd M.
Natura: Artigo
Lingua:Inglês
Pubblicazione: North Holland 2012
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC3617731/
https://ncbi.nlm.nih.gov/pubmed/23564963
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.cplett.2012.05.023
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