The Parametrization of a Thole-type All-Atom Polarizable Water Model from First Principles and its Application to the Study of Water Clusters (n=2-21) and the Phonon Spectrum on ice Ih.

March 1, 1999

Journal Article

The Parametrization of a Thole-type All-Atom Polarizable Water Model from First Principles and its Application to the Study of Water Clusters (n=2-21) and the Phonon Spectrum on ice Ih.

Abstract

Revised: November 23, 1999 | Published: March 1, 1999

Citation

Burnham C.J., J. Li, J. Li, S.S. Xantheas, M. Leslie, and M. Leslie. 1999. The Parametrization of a Thole-type All-Atom Polarizable Water Model from First Principles and its Application to the Study of Water Clusters (n=2-21) and the Phonon Spectrum on ice Ih. Journal of Chemical Physics 110, no. 9:4566-4581. PNNL-SA-30384.