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Theoretical Analysis of Transition-Metal Catalysts for Formic Acid Decomposition

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Van der Waals interactions at metal/organic interfaces at the single-molecule level

(2012) Sriharsha V. Aradhya et al.   NATURE MATERIALS

Benzene, coronene, and circumcoronene adsorbed on gold, and a gold cluster adsorbed on graphene: Structural and electronic properties

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First-principles kinetic modeling in heterogeneous catalysis: an industrial perspective on best-practice, gaps and needs

(2012) Maarten K. Sabbe et al.   Catalysis Science & Technology

Fingerprints of Dirac points in first-principles calculations of scanning tunneling spectra of graphene on a metal substrate

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Low-Cost Hydrogen-Evolution Catalysts Based on Monolayer Platinum on Tungsten Monocarbide Substrates

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Using first principles to predict bimetallic catalysts for the ammonia decomposition reaction

(2010) Danielle A. Hansgen et al.   Nature Chemistry

Step decoration of chiral metal surfaces

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Trends in the Catalytic CO Oxidation Activity of Nanoparticles

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Technological development of hydrogen production by solid oxide electrolyzer cell (SOEC)

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Monolayer bimetallic surfaces: Experimental and theoretical studies of trends in electronic and chemical properties

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