130 citations · 152 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2016★ 22 cited
Comparison of the periodic slab approach with the finite cluster ansatz for metal-organic interfaces at the example of PTCDA on Ag(110)
Jaita Banerjee, Stefan Behnle, Martin C. E. Galbraith +5
We present a comparative study of metal-organic interface properties obtained from dispersion corrected density functional theory calculations based on two different approaches: th…
cond-mat.mtrl-sci2011★ 130 cited
First principles calculations of anisotropic charge carrier mobilities in organic semiconductor crystals
V. Stehr, J. Pfister, R. F. Fink +2
The orientational dependence of charge carrier mobilities in organic semiconductor crystals and the correlation with the crystal structure are investigated by means of quantum chem…