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@INPROCEEDINGS{Gertig:890252,
      author       = {Gertig, Christoph and Fleitmann, Lorenz and Hemprich, Carl
                      and Hense, Janik and Bardow, André and Leonhard, Kai},
      title        = {{I}ntegrated {I}n {S}ilico {D}esign of {C}atalysts and
                      {P}rocesses based on {Q}uantum {C}hemistry},
      issn         = {1570-7946},
      address      = {Amsterdam [u.a.]},
      publisher    = {Elsevier},
      reportid     = {FZJ-2021-00836},
      pages        = {889-894},
      year         = {2020},
      month         = {Aug},
      date          = {2020-08-30},
      organization  = {30th European Symposium on Computer
                       Aided Process Engineering, online
                       (Italy), 30 Aug 2020 - 2 Sep 2020},
      cin          = {IEK-10},
      ddc          = {660},
      cid          = {I:(DE-Juel1)IEK-10-20170217},
      pnm          = {899 - ohne Topic (POF3-899)},
      pid          = {G:(DE-HGF)POF3-899},
      typ          = {PUB:(DE-HGF)8},
      url          = {https://juser.fz-juelich.de/record/890252},
}