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A computationally less demanding charge-on-spring model for the water molecule

András Baranyai1

  • 1Institute of Chemistry, Eötvös University, P.O. Box 32, Budapest 1518 112, Hungary. bajtony@chem.elte.hu

The Journal of Chemical Physics
|September 26, 2009
PubMed
Summary

We created a new, computationally efficient charge-on-spring model for water molecules. This model accurately simulates liquid water, hexagonal ice, and gas clusters, showing excellent agreement with experimental data.

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