Elucidating Sulfide Activation Mode in Metal Catalyzed Sulfoxidation Reactivity

DFT calculations (PBE-D3/TZ2P) for sulfoxidation mechanisms for Ti and Hf, testing multiple substitution patterns and attack modes.

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Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-1-225
View as
    • ROOT
      • BindingMode
        • Common
        • Hf
        • Ti
      • LigandCoordination
        • Common
        • Hf
        • Ti
      • MainMechanism
        • Common
        • Hf
        • Ti