A classical polarizable model for simulations of water and ice

On the accurate calculation of the dielectric constant from molecular dynamics simulations: The case of SPC/E and SWM4-DP water

(2011) Orsolya Gereben et al.   CHEMICAL PHYSICS LETTERS

Molecular dynamics simulation of the dielectric constant of water: The effect of bond flexibility

(2011) Gabriele Raabe et al.   JOURNAL OF CHEMICAL PHYSICS

The Ice−Vapor Interface and the Melting Point of IceIhfor the Polarizable POL3 Water Model

(2011) Eva Muchová et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Thermodynamic, Diffusional, and Structural Anomalies in Rigid-Body Water Models

(2011) Manish Agarwal et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A transferable classical potential for the water molecule

(2010) András Baranyai et al.   JOURNAL OF CHEMICAL PHYSICS

Hydrogen-Bond Defect in the Structure of Ice Ih

(2010) Jiří Kolafa et al.   Journal of Physical Chemistry C

Effect of Surface Pollution on Homogeneous Ice Nucleation: A Molecular Dynamics Study

(2010) Eva Pluhařová et al.   Journal of Physical Chemistry C

Nuclear Quantum Effects in the Reorientation of Water

(2010) Francesco Paesani et al.   Journal of Physical Chemistry Letters

Properties of water along the liquid-vapor coexistence curve via molecular dynamics simulations using the polarizable TIP4P-QDP-LJ water model

(2009) Brad A. Bauer et al.   JOURNAL OF CHEMICAL PHYSICS

Anomalies in water as obtained from computer simulations of the TIP4P/2005 model: density maxima, and density, isothermal compressibility and heat capacity minima

(2009) Helena L. Pi et al.   MOLECULAR PHYSICS

Aqueous solutions of ionic liquids: study of the solution/vapor interface using molecular dynamics simulations

(2008) Jan Picálek et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Triple points and coexistence properties of the dense phases of water calculated using computer simulation

(2008) Jose L. F. Abascal et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Surface fluctuations at the liquid-liquid interface

(2008) Janamejaya Chowdhary et al.   PHYSICAL REVIEW E

Quantum Differences between Heavy and Light Water

(2008) A. K. Soper et al.   PHYSICAL REVIEW LETTERS

Ions at Aqueous Interfaces: From Water Surface to Hydrated Proteins

(2007) Pavel Jungwirth et al.   Annual Review of Physical Chemistry