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@MISC{Vereecken:1031421,
      author       = {Vereecken, Luc},
      title        = {{R}eplication {D}ata for: {H}-shift and {C}yclization
                      {R}eactions in {U}nsaturated {A}lkylperoxy {R}adicals near
                      {R}oom {T}emperature: propagating or terminating
                      autoxidation ?},
      publisher    = {Jülich DATA},
      reportid     = {FZJ-2024-05652},
      year         = {2024},
      abstract     = {Quantum chemical data used for the theoretical kinetic
                      data, including geometries and vibrational wavenumbers at
                      the M06-2X-D3/aug-cc-pVTZ and M06-2X/aug-cc-pVTZ levels of
                      theory, and energies at methodologies up to
                      CCSD(T)/aug-cc-pVTZ},
      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/ZGIZV3},
      url          = {https://juser.fz-juelich.de/record/1031421},
}