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@ARTICLE{Zhu:836612,
      author       = {Zhu, Rui and Janetzko, Florian and Zhang, Yue and van Duin,
                      Adri C. T. and Goddard, William A. and Salahub, Dennis R.},
      title        = {{C}haracterization of the active site of yeast {RNA}
                      polymerase {II} by {DFT} and {R}eax{FF} calculations},
      journal      = {Theoretical chemistry accounts},
      volume       = {120},
      number       = {4-6},
      issn         = {1432-2234},
      address      = {Berlin},
      publisher    = {Springer},
      reportid     = {FZJ-2017-05687},
      pages        = {479 - 489},
      year         = {2008},
      ddc          = {540},
      typ          = {PUB:(DE-HGF)16},
      doi          = {10.1007/s00214-008-0440-9},
      url          = {https://juser.fz-juelich.de/record/836612},
}