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Please use this identifier to cite or link to this collection: DOI: 10.19061/iochem-bd-1-208

This dataset derived results are published in:

Manuscript title: The Effect of Added Ligands on the Reactions of [Ni(COD)(dppf)] with Alkyl Halides: Halide Abstraction may be Reversible

Journal: Organometallics

DOI: 10.1021/acs.organomet.1c00280

View as
  • ROOT
    • benchmarking
      • B3LYP_6_311+G2d2p
      • B3LYP_D3BJ_6_311+Gdp
      • B3LYP_D3_6_311+G2d2p
      • B3LYP_D3_6_311+Gdp
      • BP86_D3BJ_6_311+Gdp
      • BP86_D3_6_311+Gdp
      • CAM_B3LYP_6_311+Gdp
      • CAM_B3LYP_D3BJ_6_311+Gdp
      • CAM_B3LYP_D3_6_311+Gdp
      • DLPNO-CCSDT-cc-pVTZ
      • M06_6_311+Gdp
      • M06_D3_6_311+Gdp
      • M06_L_6_311+Gdp
      • M11_6_311+Gdp
      • M11_L_6_311+Gdp
      • MN15_6_311+Gdp
      • wB97X_D_6_311+Gdp
    • reaction_profiles
      • AsPh3
      • FcPPh2
      • NMe3
      • PC6H4CF33
      • PC6H4F3
      • PC6H4Me3
      • PC6H4OMe3
      • PCy3
      • PMe3
      • POPh3
      • PPh3
      • SbPh3
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