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@ARTICLE{Lennartz:10759,
      author       = {Lennartz, M.C. and Caciuc, V. and Atodiresei, N. and
                      Karthäuser, S. and Blügel, S.},
      title        = {{E}lectronic {M}apping of {M}olecular {O}rbitals at the
                      {M}olecule-{M}etal {I}nterface},
      journal      = {Physical review letters},
      volume       = {105},
      issn         = {0031-9007},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {PreJuSER-10759},
      pages        = {066801},
      year         = {2010},
      note         = {This work was supported by the DFG Priority Program
                      SPP1243. The theoretical calculations have been performed at
                      the Julich Supercomputing Centre. The authors thank P. Lazic
                      for discussions.},
      abstract     = {The molecule-metal interface formed by
                      pyridine-2,5-dicarboxylic acid chemically bonded to the Cu
                      (110) surface is investigated by scanning tunneling
                      microscopy and first-principles calculations. Our
                      current-voltage spectroscopy studies reveal an electronic
                      mapping of molecular orbitals as a function of tip position.
                      By combining experimental and theoretical investigations,
                      individual molecular orbitals are characterized by their
                      energy and spatial distribution. The importance of
                      adsorption geometries and conformational changes on the
                      electron transport properties is highlighted.},
      keywords     = {J (WoSType)},
      cin          = {IAS-1 / IFF-1 / JARA-FIT / JARA-HPC / IFF-6},
      ddc          = {550},
      cid          = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)VDB781 /
                      $I:(DE-82)080009_20140620$ / I:(DE-Juel1)VDB1346 /
                      I:(DE-Juel1)VDB786},
      pnm          = {Grundlagen für zukünftige Informationstechnologien},
      pid          = {G:(DE-Juel1)FUEK412},
      shelfmark    = {Physics, Multidisciplinary},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000280580100009},
      doi          = {10.1103/PhysRevLett.105.066801},
      url          = {https://juser.fz-juelich.de/record/10759},
}