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Rohr, Carsten; Balbás Gambra, Marta; Gruber, Kathrin; Höhl, Cornelia; Malarek, Michael S.; Scherer, Lukas J.; Constable, Edwin C.; Franosch, Thomas; Hermann, Bianca A. (2011): Predicting the influence of a p2-symmetric substrate on molecular self-organization with an interaction-site model. In: Chemical communications, Vol. 47: pp. 1800-1802




An interaction-site model can a priori predict molecular selforganisation on a new substrate in Monte Carlo simulations. This is experimentally confirmed with scanning tunnelling microscopy on Fre´chet dendrons of a pentacontane template. Local and global ordering motifs, inclusion molecules and a rotated unit cell are correctly predicted.