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@ARTICLE{Krger:19534,
      author       = {Kröger, I. and Stadtmüller, B. and Wagner, C. and Weiss,
                      C. and Temirov, R. and Tautz, F.S. and Kumpf, C.},
      title        = {{M}odelling intermolecular interactions of physisorbed
                      organic molecules using pair potential calculations},
      journal      = {The journal of chemical physics},
      volume       = {135},
      issn         = {0021-9606},
      address      = {Melville, NY},
      publisher    = {American Institute of Physics},
      reportid     = {PreJuSER-19534},
      pages        = {234703},
      year         = {2011},
      note         = {We thank Christoph Kleimann for stimulating discussions.
                      This work was supported by the Deutsche
                      Forschungsgemeinschaft, project number KU 15312-1.},
      abstract     = {The understanding and control of epitaxial growth of
                      organic thin films is of crucial importance in order to
                      optimize the performance of future electronic devices. In
                      particular, the start of the submonolayer growth plays an
                      important role since it often determines the structure of
                      the first layer and subsequently of the entire molecular
                      film. We have investigated the structure formation of
                      3,4,9,10-perylene-tetracarboxylic dianhydride and
                      copper-phthalocyanine molecules on Au(111) using
                      pair-potential calculations based on van der Waals and
                      electrostatic intermolecular interactions. The results are
                      compared with the fundamental lateral structures known from
                      experiment and an excellent agreement was found for these
                      weakly interacting systems. Furthermore, the calculations
                      are even suitable for chemisorptive adsorption as
                      demonstrated for copper-phthalocyanine/Cu(111), if the
                      influence of charge transfer between substrate and molecules
                      is known and the corresponding charge redistribution in the
                      molecules can be estimated. The calculations are of general
                      applicability for molecular adsorbate systems which are
                      dominated by electrostatic and van der Waals interaction.},
      keywords     = {J (WoSType)},
      cin          = {PGI-3 / JARA-FIT},
      ddc          = {540},
      cid          = {I:(DE-Juel1)PGI-3-20110106 / $I:(DE-82)080009_20140620$},
      pnm          = {Grundlagen für zukünftige Informationstechnologien},
      pid          = {G:(DE-Juel1)FUEK412},
      shelfmark    = {Physics, Atomic, Molecular $\&$ Chemical},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:22191896},
      UT           = {WOS:000298539900040},
      doi          = {10.1063/1.3665923},
      url          = {https://juser.fz-juelich.de/record/19534},
}