Oxygen-exchange pathways in aluminum polyoxocations

Using molecular dynamics simulations and electronic structure methods, we postulate a mechanism to explain the complicated reactivity trends that are observed for oxygen isotope exchange reactions between sites in aluminum polyoxocations of the ε-Keggin type and bulk solution. Experimentally, the mo...

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Veröffentlicht in:	Geochimica et cosmochimica acta 2004-07, Vol.68 (14), p.3011-3017
Hauptverfasser:	Rustad, James R, Loring, John S, Casey, William H
Format:	Artikel
Sprache:	eng
Schlagworte:	ALUMINIUM COMPOUNDS CHEMICAL REACTION KINETICS DISSOCIATION ELECTRONIC STRUCTURE Environmental Molecular Sciences Laboratory GALLIUM COMPOUNDS GEOSCIENCES GERMANIUM COMPOUNDS INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY ISOTOPIC EXCHANGE MINERALOGY MOLECULAR DYNAMICS METHOD OXYGEN ISOTOPES
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