The University of Tennessee
Computational Materials Research Group

Proton Transport

The investigation of the molecular-level mechanisms of proton transport in diverse systems is a research project advised by David Keffer (Chemical and Biomolecular Engineering, University of Tennessee). The structures shown on this page are the work of Ms. Myvizhi Esai Selvan, a PhD student at the University of TN.

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  • Isolated Structures
  • Systems
  • bulk water
  • bulk aqueous solution of hydrochloric acid
  • water in carbon nanotubes with H3O+ at infinite dilution
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