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@MISC{Vereecken:1034711,
      author       = {Vereecken, Luc},
      title        = {{R}eplication {D}ata for: {P}erhemiacetal {F}ormation and
                      {C}l/{NO}₃-initiated chemistry of
                      {H}ydroperoxymethylthioformate ({HPMTF}) in atmospheric
                      {DMS} oxidation},
      publisher    = {Jülich DATA},
      reportid     = {FZJ-2024-07468},
      year         = {2024},
      abstract     = {This data set provides the quantum chemical data
                      characterizing reactions in the NO₃- and Cl-initiated
                      oxidation of dimethylsulfide (DMS), as well as reactions of
                      hydroperoxymethylthioformate (HPMTF), thio-perhemiacetal
                      (TPHAC), and the OH-initiated oxidation of TPHAC. Geometries
                      and vibrational wavenumbers are obtained at the
                      M06-2X-D3/aug-cc-pV(T+d)Z level of theory, with energies
                      refined at the CCSD(T)/aug-cc-pV(Q+d)Z level of theory.},
      cin          = {ICE-3},
      cid          = {I:(DE-Juel1)ICE-3-20101013},
      pnm          = {2111 - Air Quality (POF4-211)},
      pid          = {G:(DE-HGF)POF4-2111},
      typ          = {PUB:(DE-HGF)32},
      doi          = {10.26165/JUELICH-DATA/8MYZUY},
      url          = {https://juser.fz-juelich.de/record/1034711},
}