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20022011
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377 citations

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Showing 2010 · physics.chem-phShow all

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physics.chem-ph2010★ 1 cited

Reflexion Mössbauer analysis of the in situ oxidation products hydroxycarbonate green rust

Sebastien Naille, Mustapha Abdelmoula, Didier Louber +2

The purpose of this study is to determine the nature of the oxidation products of FeII-III hydroxycarbonate FeII4FeIII2(OH)12CO3~3H2O (green rust GR(CO32-)) by using the miniaturis…

physics.chem-ph2010★ 129 cited

Range-separated density-functional theory with random phase approximation: detailed formalism and illustrative applications

Julien Toulouse, Wuming Zhu, Janos G. Angyan +1

Using Green-function many-body theory, we present the details of a formally exact adiabatic-connection fluctuation-dissipation density-functional theory based on range separation,…