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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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Ru complexes containing pyridine dicarboxylate ligands: electronic effects on their catalytic activity toward water

Junxue An1, Lele Duan, Licheng Sun

  • 1Department of Chemistry, School of Chemical Science and Engineering, Royal Institute of Technology (KTH), 100 44 Stockholm, Sweden.

Faraday Discussions
|April 5, 2012
PubMed

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