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cond-mat.mtrl-sci2014
Anisotropic Electrostatic Friction of Organic Molecules on ZnO Surfaces
Karol Palczynski, Joachim Dzubiella
We study the long-time self-diffusion of a single conjugated organic para-sexiphenyl (p-6P) molecule physisorbed on the inorganic ZnO surface by mean…
cond-mat.soft2014★ 15 cited
Angle-resolved effective potentials for disk-shaped molecules
Thomas Heinemann, Karol Palczynski, Joachim Dzubiella +1
We present an approach for calculating coarse-grained angle-resolved effective pair potentials for uniaxial molecules. For integrating out the intramolecular degrees of freedom we…