Confinement effects and acid strength in zeolites

HIGHLIGHTS

• who: Emanuele Grifoni from the of Chemistry and Applied Biosciences, ETH Zurich, c/o USI Campus, Via Giuseppe Buffi, Lugano, Ticino, Switzerland have published the research work: Confinement effects and acid strength in zeolites, in the Journal: NATURE COMMUNICATIONS NATURE COMMUNICATIONS of 17/09/2020
• what: The authors examine these questions by a combination of ab initio molecular dynamics (AIMD) and enhanced sampling based on the Metadynamics formalisms for studying the rare events dynamics and evaluating the associated free_energy landscapes. The authors focus on the role of confinement on the specific population of water clusters . . .
  

   

  

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