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Computational data for selection of PBE+50HFX functional for studying Ru-Cl/H-PR3 complexes

Robert K Szilagyi; Savio Poovathingal; Timothy K Minton


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@dataset{robert_k_szilagyi_2018_1203675,
  author       = {Robert K Szilagyi and
                  Savio Poovathingal and
                  Timothy K Minton},
  title        = {{Computational data for selection of PBE+50HFX 
                   functional for studying Ru-Cl/H-PR3 complexes}},
  month        = mar,
  year         = 2018,
  note         = {{publication DOI will be provided upon acceptance 
                   of manuscript for publication}},
  publisher    = {Zenodo},
  version      = {1.0},
  doi          = {10.5281/zenodo.1203675},
  url          = {https://doi.org/10.5281/zenodo.1203675}
}
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