most citedMolecular-level understanding of the WGS and reverse WGS reactions on Rh through hierarchical multiscale approach

42 citations · 42 across the 1 of their papers we have counts for

collaborators

1 paper

cond-mat.mtrl-sci2012★ 42 cited

Molecular-level understanding of the WGS and reverse WGS reactions on Rh through hierarchical multiscale approach

Matteo Maestri, Karsten Reuter

Hierarchically combining semi-empirical methods and first-principles calculations we gain a novel and noteworthy picture of the molecular-level mechanisms that govern the water-gas…