Development of Polarizable Water Force Fields for Phase Equilibrium Calculations

By Bin Chen, Jianhua Xing, J. Siepmann. 2000

187 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Nuclear and High Energy Physics

View Paper: https://www.semanticscholar.org/paper/8d1812eced1593bd674c0cc79a9620731e0920bf

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In Atomic and Molecular Physics, and Optics

1. T. Head‐Gordon
2. Michele Parrinello
3. Matthias Krack
4. Greg L. Hura
5. Daniel Russo
6. R. Glaeser
7. Giovanni Bussi
8. Alexander V. Shapeev

Citations in the corpus

• Water structure as a function of temperature from X-ray scattering experiments and ab initio molecular dynamics (2003, methodology): “model[24] and the TIP4P-Pol2[25] polarizable model, with DFT-LDA densities, show very good agreement with the experimental intensities, and TIP4P-Pol2 in particular shows quantitative agreement over the full temperature range.”