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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Mononuclear ruthenium-water oxidation catalysts: discerning between electronic and hydrogen-bonding effects

Somnath Maji1, Isidoro López, Fernando Bozoglian

  • 1Institute of Chemical Research of Catalonia, Avinguda Països Catalans 16, 43007 Tarragona, Spain.

Inorganic Chemistry
|March 22, 2013
PubMed

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