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Hahn, K R; Tricoli, A; Santarossa, G; Vargas, A; Baiker, A (2011). Theoretical study of the (110) surface of Sn(1) (-) (x)Ti(x)O(2) solid solutions with different distribution and content of Ti. Surface Science, 605(15-16):1476-1482.

Vargas, A; Shnitko, I; Teleki, A; Weyeneth, S; Pratsinis, S E; Baiker, A (2011). Structural dependence of the efficiency of functionalization of silica-coated FeOx magnetic nanoparticles studied by ATR-IR. Applied Surface Science, 257(7):2861-2869.

Schiffmann, F; VandeVondele, J; Hutter, J; Wirz, R; Urakawa, A; Baiker, A (2010). Protonation-Dependent Binding of Ruthenium Bipyridyl Complexes to the Anatase(101) Surface. Journal of Physical Chemistry C, 114(18):8398-8404.

Schiffmann, F; VandeVondele, J; Hutter, J; Urakawa, A; Wirz, R; Baiker, A (2010). An atomistic picture of the regeneration process in dye sensitized solar cells. Proceedings of the National Academy of Sciences of the United States of America (PNAS), 107(11):4830-4833.

Santarossa, G; Vargas, A; Iannuzzi, M; Baiker, A (2010). Free energy surface of two- and three-dimensional transitions of Au 12 nanoclusters obtained by ab initio metadynamics. Physical Review B, 81(17):174205.

Hesske, H; Urakawa, A; VandeVondele, J; Baiker, A (2010). Insight into fundamental, overtone, and combination IR bands of surface and bulk Ba(NO3)2 by ab initio molecular dynamics. Journal of Physical Chemistry. C, 114(35):15042-15048.

Vargas, A; Santarossa, G; Iannuzzi, M; Baiker, A (2009). Fluxionality of gold nanoparticles investigated by Born-Oppenheimer molecular dynamics. Physical Review. B, Condensed Matter and Materials Physics, 80(19):195421.

Kiebach, R; Pienack, N; Bensch, W; Grunwaldt, J D; Michailovski, A; Baiker, A; Fox, T; Zhou, Y; Patzke, Greta R (2008). Hydrothermal formation of W/Mo-oxides: A multidisciplinary study of growth and shape. Chemistry of Materials, 20(9):3022-3033.

Urakawa, A; Iannuzzi, M; Hutter, J; Baiker, A (2007). Towards a rational design of ruthenium CO2 hydrogenation catalysts by Ab initio metadynamics. Chemistry - A European Journal, 13(24):6828-6840.

This list was generated on Wed Jul 17 15:58:04 2019 CEST.