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Adsorption

We perform embedded cluster calculations and periodic super cell calculations on the adsorption of molecules on metal and metal oxide surfaces. 

 

 
M. Lukas, K. Doessel, A. Schramm, O. Fuhr, C. Stroh, M. Mayor, K. Fink, and H. v. Loehneysen
A Tripodal Molecule on a Gold Surface:Orientation-Dependent Coupling and Electronic Properties of the Molecular Legs
ACS Nano 7, 6170 (2013)