Hydrogen inter-cage hopping and cage occupancies inside hydrogen hydrate: molecular-dynamics analysis

HIGHLIGHTS

  • who: Yogeshwaran Krishnan and colleagues from the School of Chemical and Bioprocess Engineering, University College Dublin, Dublin , Belfield, Ireland have published the Article: Hydrogen Inter-Cage Hopping and Cage Occupancies inside Hydrogen Hydrate: Molecular-Dynamics Analysis, in the Journal: (JOURNAL)
  • what: The aim of this article was to explore the inter-cage hopping of hydrogen molecules in the bulk structure of type II hydrate.
  • future: These MD methodologies might be deployed to a greater degree in the coming decade as what appears computationally ‘heroic' today may turn out to be routinely available in . . .

     

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