Title
The polarizing forces of water
Document Type
Article
Publication Date
1-1-2012
Abstract
A brief review of popular polarizable potentials for water, including both those parameterized to fit experimental properties, typically of the liquid, or electronic structure calculations on small clusters, is presented. The recently developed POLIR potential, which was parameterized to reproduce both ab initio calculations on clusters and the experimental liquid IR spectrum, is discussed, and some new results for both clusters and the liquid phase are shown, indicating its transferable nature. © 2012 Springer-Verlag.
Publication Source (Journal or Book title)
Theoretical Chemistry Accounts
First Page
1
Last Page
10
Recommended Citation
Kumar, R., & Keyes, T. (2012). The polarizing forces of water. Theoretical Chemistry Accounts, 131 (3), 1-10. https://doi.org/10.1007/s00214-012-1197-8