Density functional theory approach for improving the catalytic activity of a biomimetic model based on the Fe-only hydrogenase active site
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JOURNAL OF ELECTROANALYTICAL CHEMISTRY
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Ma, Y., & Balbuena, P. B.
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Ma, Yuguang||Balbuena, Perla B
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Biomimetic Materials
Density Functional Theory
Hydrogen Oxidation
Hydrogenase
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