The soft-sticky dipole-quadrupole-octopole (SSDQO) model of water has excellent properties for pure liquid water over a wide range of temperatures and pressures, and yet is computationally faster than even three-site models such as SPC/E and TIP3P. This model is based multipole tensors on a single point, and so describes the electron distribution better than three-, four- and five-site models. It has good solvation properties as well. Here, results for new optimization of the parameters are compared.

Soft-sticky dipole-quadrupole-octopole model of liquid water

244th National Meeting (2012)

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