Water Molecules in Single File:  First-Principles Studies of One-Dimensional Water Chains in Zeolites

Ettore Fois, Aldo Gamba, Gloria Tabacchi, Simona Quartieri, Giovanna Vezzalini
  • The Journal of Physical Chemistry B, April 2001, American Chemical Society (ACS)
  • DOI: 10.1021/jp002752l

Water in single file

What is it about?

Water molecules can be arranged in single files within the cavities of porous materials known as Zeolites. Our main target was to study, by computer simulation, these fascinating water chains. In particular we wanted to understand the effect of the confining structure on the stability of the water chains.

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The following have contributed to this page: Gloria Tabacchi