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A benchmark database for adsorption bond energies to transition metal surfaces and comparison to selected DFT functionals

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Structure determination of chemisorbed chirality transfer complexes: Accelerated STM analysis and exchange-correlation functional sensitivity

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Walking-like diffusion of two-footed asymmetric aromatic adsorbates on Pt(111)

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Remote Activation of Chemical Bonds in Heterogeneous Catalysis

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Structure and energetics of benzene adsorbed on transition-metal surfaces: density-functional theory with van der Waals interactions including collective substrate response

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Adsorption, mobility, and dimerization of benzaldehyde on Pt(111)

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Computational study of the adsorption and dissociation of phenol on Pt and Rh surfaces

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Benzene adsorbed on metals: Concerted effect of covalency and van der Waals bonding

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Large-Scale Applications of Transition Metal-Catalyzed Couplings for the Synthesis of Pharmaceuticals

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Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method

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Chemical accuracy for the van der Waals density functional

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