TTM3-F model of water

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TTM3-F model of water[1]

Melting point

The melting point of the TTM3-F model is 225 K form quantum simulations [2]

See also

References

  1. ↑ George S. Fanourgakis and Sotiris S. Xantheas "Development of transferable interaction potentials for water. V. Extension of the flexible, polarizable, Thole-type model potential (TTM3-F, v. 3.0) to describe the vibrational spectra of water clusters and liquid water", Journal of Chemical Physics 128 074506 (2008)
  2. ↑ Francesco Paesani, Soohaeng Yoo, Huib J. Bakker and Sotiris S. Xantheas "Nuclear Quantum Effects in the Reorientation of Water",Journal of Physical Chemistry Letters 1 pp. 2316-2321 (2010)
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