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Lorenzi, J. M.; Matera, S.; Reuter, K.: Synergistic Inhibition of Oxide Formation in Oxidation Catalysis: A First-Principles Kinetic Monte Carlo Study of NO + CO Oxidation at Pd(100). ACS Catalysis 6 (8), pp. 5191 - 5197 (2016)

Lubasch, M.; Fuks, J. I.; Appel, H.; Rubio, A.; Cirac, J. I.; Bañuls, M.-C.: Systematic construction of density functionals based on matrix product state computations. New Journal of Physics 18 (8), 083039 (2016)

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Luo, Y.; Alarcón Villaseca, S.; Friedrich, M.; Teschner, D.; Knop-Gericke, A.; Armbrüster, M.: Addressing electronic effects in the semi-hydrogenation of ethyne by InPd₂ and intermetallic Ga-Pd compounds. Journal of Catalysis 338, pp. 265 - 272 (2016)

Lupan, O.; Cretu, V.; Postica, V.; Ahmadi, M.; Roldan Cuenya, B.; Chow, L.; Tiginyanu, I.; Viana, B.; Pauporté, T.; Adelung, R.: Silver-doped zinc oxide single nanowire multifunctional nanosensor with a significant enhancement in response. Sensors and Actuators B 223, pp. 893 - 903 (2016)

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Maurer, R. J.; Liu, W.; Poltavskyi, I.; Stecher, T.; Oberhofer, H.; Reuter, K.; Tkatchenko, A.: Thermal and electronic fluctuations of flexible adsorbed molecules: Azobenzene on Ag(111). Physical Review Letters 116 (14), 146101 (2016)

Maurer, R. J.; Ruiz Lopez, V. G.; Cisnéros, J. C.; Liu, W.; Ferri, N.; Reuter, K.; Tkatchenko, A.: Adsorption structures and energetics of molecules on metal surfaces: Bridging experiment and theory. Progress in Surface Science 91 (2), pp. 72 - 100 (2016)

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Mistry, H.; Varela, A. S.; Kühl, S.; Strasser, P.; Roldan Cuenya, B.: Nanostructured electrocatalysts with tunable activity and selectivity. Nature Reviews Materials 1 (4), 16009 (2016)

Moser, M.; Paunović, V.; Guo, Z.; Szentmiklósi, L.; Hevia, M. G.; Higham, M.; López, N.; Teschner, D.; Pérez-Ramírez, J.: Interplay between surface chemistry and performance of rutile-type catalysts for halogen production. Chemical Science 7 (5), pp. 2996 - 3005 (2016)

Müller, M.; Diller, K.; Maurer, R. J.; Reuter, K.: Interfacial charge rearrangement and intermolecular interactions: Density-functional theory study of free-base porphine adsorbed on Ag(111) and Cu(111). The Journal of Chemical Physics 114 (2), 024701 (2016)