A systematic development of a polarizable potential of water

Six-site polarizable model of water based on the classical Drude oscillator

(2013) Wenbo Yu et al.   JOURNAL OF CHEMICAL PHYSICS

Testing the recent charge-on-spring type polarizable water models. II. Vapor-liquid equilibrium

(2012) Péter T. Kiss et al.   JOURNAL OF CHEMICAL PHYSICS

Testing recent charge-on-spring type polarizable water models. I. Melting temperature and ice properties

(2012) Péter T. Kiss et al.   JOURNAL OF CHEMICAL PHYSICS

Surface properties of the polarizable Baranyai-Kiss water model

(2012) Péter Kiss et al.   JOURNAL OF CHEMICAL PHYSICS

On the pressure calculation for polarizable models in computer simulation

(2012) Péter T. Kiss et al.   JOURNAL OF CHEMICAL PHYSICS

Density maximum and polarizable models of water

(2012) Péter T. Kiss et al.   JOURNAL OF CHEMICAL PHYSICS

Diffusion coefficient and shear viscosity of rigid water models

(2012) Sami Tazi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Sources of the deficiencies in the popular SPC/E and TIP3P models of water

(2011) Péter T. Kiss et al.   JOURNAL OF CHEMICAL PHYSICS

Polarizable model of water with field-dependent polarization

(2011) András Baranyai et al.   JOURNAL OF CHEMICAL PHYSICS

Robust three-body water simulation model

(2011) C. J. Tainter et al.   JOURNAL OF CHEMICAL PHYSICS

Structural properties and thermodynamics of water clusters: A Wang–Landau study

(2011) Junqi Yin et al.   JOURNAL OF CHEMICAL PHYSICS

A flexible model for water based on TIP4P/2005

(2011) Miguel A. González et al.   JOURNAL OF CHEMICAL PHYSICS

System size and trajectory length dependence of the static structure factor and the diffusion coefficient as calculated from molecular dynamics simulations: The case of SPC/E water

(2011) Orsolya Gereben et al.   JOURNAL OF MOLECULAR LIQUIDS

A classical polarizable model for simulations of water and ice

(2011) Linda Viererblová et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Simulating water with rigid non-polarizable models: a general perspective

(2011) Carlos Vega et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Heat capacity of water: A signature of nuclear quantum effects

(2010) C. Vega et al.   JOURNAL OF CHEMICAL PHYSICS

A transferable classical potential for the water molecule

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

Flexibility Does Not Change the Polarizability of Water Molecules in the Liquid

(2010) Bernhard Schropp et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Robust rotational-velocity-Verlet integration methods

(2010) Dmitri Rozmanov et al.   PHYSICAL REVIEW E

Clusters of classical water models

(2009) Péter T. Kiss et al.   JOURNAL OF CHEMICAL PHYSICS

Competing quantum effects in the dynamics of a flexible water model

(2009) Scott Habershon et al.   JOURNAL OF CHEMICAL PHYSICS

Bridging Theory with Experiment: A Benchmark Study of Thermally Averaged Structural and Effective Spectroscopic Parameters of the Water Molecule†

(2009) Gábor Czakó et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Development of a Nonlinear Classical Polarization Model for Liquid Water and Aqueous Solutions: COS/D†

(2009) Anna-Pitschna E. Kunz et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Fourth and Fifth Virial Coefficients of Polarizable Water

(2009) Kenneth M. Benjamin et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Development of transferable interaction potentials for water. V. Extension of the flexible, polarizable, Thole-type model potential (TTM3-F, v. 3.0) to describe the vibrational spectra of water clusters and liquid water

(2008) George S. Fanourgakis et al.   JOURNAL OF CHEMICAL PHYSICS

Determination of phase diagrams via computer simulation: methodology and applications to water, electrolytes and proteins

(2008) C Vega et al.   JOURNAL OF PHYSICS-CONDENSED MATTER