Unravelling enzymatic features in a supramolecular iridium catalyst by computational calculations

HIGHLIGHTS

  • who: from the (UNIVERSITY) have published the article: Unravelling Enzymatic Features in a Supramolecular Iridium Catalyst by Computational Calculations, in the Journal: (JOURNAL)
  • what: Chemical transformations catalyzed by enzymes, Nature`s catalysts, exhibit highly high levels of activity and excellent levels of chemo-, regio- and stereo-selectivity.[1] Although not fully understood, the main reasons for these superb performances appear to be the physicochemical protection of the features destabilization of ground_states as well as stabilization of transition_states for the relevant iridium-catalyzed C H bond borylation of pyridine.
  • how: The Gibbs energy results . . .

     

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