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Chemistry Computational Surface Chemistry – Maurer Group

Publications

No. of Publications: 42

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Adsorption structures and energetics of molecules on metal surfaces: Bridging experiment and theory

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Adsorption structures and energetics of molecules on metal surfaces: Bridging experiment and theory

Reinhard J. Maurer, Victor G. Ruiz, Javier Camarillo-Cisneros, Wei Liu, Nicola Ferri, Karsten Reuter, Alexandre Tkatchenko, Prog. Surf. Sci. 91, 72-100 (2016)

By reviewing experiment and calculation data for structures and energies, we compose a benchmark database for molecules on metal surfaces.

Tue 17 Oct 2017, 21:55 | Tags: Single Crystal Microcalorimetry, Density Functional Theory, metal surface, Azobenzene, X ray standing waves, dispersion interactions, Temperature Programmed Desorption, benchmark databases

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