TTM2.1-F model of water

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The TTM2.1-F is a flexible ab initio model of water. This model is a revision of the flexible, polarizable, Thole-type interaction potential for water, TTM2-F.

References[edit]

  1. George S. Fanourgakis and Sotiris S. Xantheas "The Flexible, Polarizable, Thole-Type Interaction Potential for Water (TTM2-F) Revisited", The Journal of Physical Chemistry A 110 pp. 4100 -4106 (2006)
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