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@ARTICLE{ToengesSchuller:5553,
      author       = {Toenges-Schuller, N. and Poppe, D.},
      title        = {{F}lexibility of a simple tropospheric gas phase reaction
                      mechanism: investigations of a simulated experiment by
                      inverse modelling published online: 13 {A}ugust 2009},
      journal      = {Journal of atmospheric chemistry},
      volume       = {61},
      issn         = {0167-7764},
      address      = {Dordrecht [u.a.]},
      publisher    = {Springer Science + Business Media B.V},
      reportid     = {PreJuSER-5553},
      pages        = {205 - 226},
      year         = {2008},
      note         = {This work was done within the framework of the virtual
                      institute IMACCO (inverse modelling of the atmospheric
                      chemical composition), an initiative of the Helmholtz
                      Gemeinschaft Deutscher Forschungszentren (HGF). We would
                      like to thank the SAPHIR team of ICG-2, Forschungszentrum
                      Julich, for providing SAPHIR measurements and chamber data
                      and for helpful discussions, and our IMACCO partners for
                      helpful advice. Financial support by the HGF is gratefully
                      acknowledged.},
      abstract     = {Inverse modelling was applied to computer simulated time
                      series of trace gas concentrations as a means to design real
                      experiments and to explore the potential of their real
                      counterparts to deduce rate constants of a simplified
                      reaction mechanism of tropospheric chemistry. Two cases were
                      examined: As a first case, the model to be fitted was
                      complete, but its rate constants were modified within the
                      constraints from prior knowledge. For this case, we got a
                      good fit and significantly improved the modified parameters.
                      As a second case, an incomplete model, where an important
                      reaction was omitted from the model, was fitted to the
                      simulated experiment. For the incomplete model, we also got
                      an apparently good fit, showing the flexibility of the
                      mechanism. However, the hypothesis "mechanism is correct"
                      had to be rejected because it is not consistent with the
                      prior knowledge. The rejection was further confirmed by a
                      simulated control experiment with different experimental
                      constraints.},
      keywords     = {J (WoSType)},
      cin          = {ICG-2},
      ddc          = {540},
      cid          = {I:(DE-Juel1)VDB791},
      pnm          = {Atmosphäre und Klima},
      pid          = {G:(DE-Juel1)FUEK406},
      shelfmark    = {Environmental Sciences / Meteorology $\&$ Atmospheric
                      Sciences},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000270582600002},
      doi          = {10.1007/s10874-009-9133-6},
      url          = {https://juser.fz-juelich.de/record/5553},
}