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@ARTICLE{Carlsson:889800,
      author       = {Carlsson, Philip and Celik, Steven and Becker, Daniel and
                      Olenius, Tinja and Elm, Jonas and Zeuch, Thomas},
      title        = {{N}eutral {S}ulfuric {A}cid–{W}ater {C}lustering {R}ates:
                      {B}ridging the {G}ap between {M}olecular {S}imulation and
                      {E}xperiment},
      journal      = {The journal of physical chemistry letters},
      volume       = {11},
      number       = {10},
      issn         = {1948-7185},
      address      = {Washington, DC},
      publisher    = {ACS},
      reportid     = {FZJ-2021-00413},
      pages        = {4239 - 4244},
      year         = {2020},
      abstract     = {The role of sulfuric acid during atmospheric new particle
                      formation is an ongoing topic of discussion. In this work,
                      we provide quantitative experimental constraints for quantum
                      chemically calculated evaporation rates for the smallest
                      H2SO4–H2O clusters, characterizing the mechanism governing
                      nucleation on a kinetic, single-molecule level. We compare
                      experimental particle size distributions resulting from a
                      highly supersaturated homogeneous H2SO4 gas phase with the
                      results from kinetic simulations employing quantum
                      chemically derived decomposition rates of electrically
                      neutral H2SO4 molecular clusters up to the pentamer at a
                      large range of relative humidities. By using high H2SO4
                      concentrations, we circumvent the uncertainties concerning
                      contaminants and competing reactions present in studies at
                      atmospheric conditions. We show good agreement between
                      molecular simulation and experimental measurements and
                      provide the first evaluation of theoretical predictions of
                      the stabilization provided by water molecules.},
      cin          = {IEK-8},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IEK-8-20101013},
      pnm          = {243 - Tropospheric trace substances and their
                      transformation processes (POF3-243)},
      pid          = {G:(DE-HGF)POF3-243},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {32357300},
      UT           = {WOS:000537432500069},
      doi          = {10.1021/acs.jpclett.0c01045},
      url          = {https://juser.fz-juelich.de/record/889800},
}