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Quantum mechanical calculation of aqueuous uranium complexes: carbonate, phosphate, organic and biomolecular species

BACKGROUND: Quantum mechanical calculations were performed on a variety of uranium species representing U(VI), U(V), U(IV), U-carbonates, U-phosphates, U-oxalates, U-catecholates, U-phosphodiesters, U-phosphorylated N-acetyl-glucosamine (NAG), and U-2-Keto-3-doxyoctanoate (KDO) with explicit solvati...

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Detalles Bibliográficos
Autores principales: Kubicki, James D, Halada, Gary P, Jha, Prashant, Phillips, Brian L
Formato: Texto
Lenguaje:English
Publicado: BioMed Central 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2739206/
https://www.ncbi.nlm.nih.gov/pubmed/19689800
http://dx.doi.org/10.1186/1752-153X-3-10

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