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@ARTICLE{Chen:891461,
      author       = {Chen, Kaixuan and Dronskowski, Richard},
      title        = {{F}irst-{P}rinciples {S}tudy of {D}ivalent 3d
                      {T}ransition-{M}etal {C}arbodiimides},
      journal      = {The journal of physical chemistry / A},
      volume       = {123},
      number       = {43},
      issn         = {1520-5215},
      address      = {Washington, DC},
      publisher    = {Soc.},
      reportid     = {FZJ-2021-01543},
      pages        = {9328 - 9335},
      year         = {2019},
      ddc          = {530},
      pnm          = {Conversion-reaction mechanism in lithium-ion batteries from
                      the first-principles point of view $(jara0179_20191101)$},
      pid          = {$G:(DE-Juel1)jara0179_20191101$},
      typ          = {PUB:(DE-HGF)16},
      doi          = {10.1021/acs.jpca.9b05799},
      url          = {https://juser.fz-juelich.de/record/891461},
}