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  2. Universitat de Girona

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Extra-Intra_diol

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The original dataset source can be reviewed here
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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