lignin_depolymerization

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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-1-52
View as
    • ROOT
      • Adsorption
        • ni
          • 3x3
            • co
            • h
            • h2o
            • o
            • slab
          • 4x4
          • 7x4
        • niru
          • 4x4
            • benzene
            • phenol
            • phenol_dissociated
            • slab
          • 7x4
        • ru
          • 3x3
            • benzene
            • co
            • h
            • h2o
            • o
            • oh
            • phenol
            • phenol_methoxy
            • slab
          • 4x4
          • 7x4
      • Gas_Geometries
      • Solvation
        • eg
        • h2o
      • reactions
        • ni
        • niru