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POLIR: polarizable, flexible, transferable water potential optimized for IR spectroscopy

Parminder K Mankoo1, Thomas Keyes

  • 1Department of Chemistry, Boston University, Boston, Massachusetts 02215, USA.

The Journal of Chemical Physics
|July 24, 2008
PubMed
Summary

A new water model, POLIR, accurately describes structural, kinetic, and vibrational properties. Its transferability enables applications in solvation and extreme environments.

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