  The adsorption geometry of 1,3,5-tris(4-mercaptophenyl)benzene (TMB) on
Cu(111) is determined with high precision using two independent methods,
experimentally by quantitative low energy electron diffraction (LEED-I(V)) and
theoretically by dispersion corrected density functional theory (DFT-vdW).
Structural refinement using both methods consistently results in similar
adsorption sites and geometries. Thereby a level of confidence is reached that
allows deduction of subtle structural details such as molecular deformations or
relaxations of copper substrate atoms.
