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Periodic density functional theory calculations of bulk and the (010) surface of goethite

BACKGROUND: Goethite is a common and reactive mineral in the environment. The transport of contaminants and anaerobic respiration of microbes are significantly affected by adsorption and reduction reactions involving goethite. An understanding of the mineral-water interface of goethite is critical f...

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Autores principales: Kubicki, James D, Paul, Kristian W, Sparks, Donald L
Formato: Artigo
Lenguaje:Inglês
Publicado: BioMed Central 2008
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Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC2409307/
https://ncbi.nlm.nih.gov/pubmed/18477389
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1467-4866-9-4
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