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Please use this identifier to cite or link to this collection: DOI: 10.19061/iochem-bd-4-14

This dataset derived results are published in:

Manuscript title: The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O2

DOI: 10.1039/C7OB01814B

View as
  • ROOT
    • L-N2H2
      • STEP_0
      • STEP_1
      • STEP_2
      • STEP_2_TS23
      • STEP_3
      • STEP_3_TS34
      • STEP_4
      • STEP_4_TS45
      • STEP_5
      • STEP_5_TS56
      • STEP_6
    • L-N2Me2
      • STEP_0
      • STEP_1
      • STEP_2
      • STEP_2_TS23
      • STEP_3
      • STEP_3_TS34
      • STEP_4
      • STEP_4_TS45
      • STEP_5
      • STEP_5_TS56
      • STEP_6
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