The influence of polarizability and charge transfer on specific ion effects in the dynamics of aqueous salt solutions

Ion association in aqueous solution

(2016) Marielle Soniat et al.   FLUID PHASE EQUILIBRIA

Scaling Atomic Partial Charges of Carbonate Solvents for Lithium Ion Solvation and Diffusion

(2016) Mangesh I. Chaudhari et al.   Journal of Chemical Theory and Computation

Pairwise-additive force fields for selected aqueous monovalent ions from adaptive force matching

(2015) Jicun Li et al.   JOURNAL OF CHEMICAL PHYSICS

Communication: Modeling of concentration dependent water diffusivity in ionic solutions: Role of intermolecular charge transfer

(2015) Yi Yao et al.   JOURNAL OF CHEMICAL PHYSICS

Charge transfer effects of ions at the liquid water/vapor interface

(2014) Marielle Soniat et al.   JOURNAL OF CHEMICAL PHYSICS

A scaled-ionic-charge simulation model that reproduces enhanced and suppressed water diffusion in aqueous salt solutions

(2014) Z. R. Kann et al.   JOURNAL OF CHEMICAL PHYSICS

Role of Charge Transfer in Water Diffusivity in Aqueous Ionic Solutions

(2014) Yi Yao et al.   Journal of Physical Chemistry Letters

Influence of Ions on Water Diffusion—A Neutron Scattering Study

(2013) Paul Ben Ishai et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Charge and Electric Field Fluctuations in Aqueous NaCl Electrolytes

(2013) Bernhard Sellner et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Crystal lattice properties fully determine short-range interaction parameters for alkali and halide ions

(2012) Albert H. Mao et al.   JOURNAL OF CHEMICAL PHYSICS

The effects of charge transfer on the aqueous solvation of ions

(2012) Marielle Soniat et al.   JOURNAL OF CHEMICAL PHYSICS

Self-Diffusion and Viscosity in Electrolyte Solutions

(2012) Jun Soo Kim et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Solvation and ion-pairing properties of the aqueous sulfate anion: explicit versus effective electronic polarization

(2012) Luís Pegado et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The effects of charge transfer on the properties of liquid water

(2011) Alexis J. Lee et al.   JOURNAL OF CHEMICAL PHYSICS

Accounting for electronic polarization in non-polarizable force fields

(2011) Igor Leontyev et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Multibody Effects in Ion Binding and Selectivity

(2010) Sameer Varma et al.   BIOPHYSICAL JOURNAL

Polarization and charge transfer in the hydration of chloride ions

(2010) Zhen Zhao et al.   JOURNAL OF CHEMICAL PHYSICS

Specific ion effects in colloidal and biological systems

(2009) Werner Kunz   CURRENT OPINION IN COLLOID & INTERFACE SCIENCE

Rational design of ion force fields based on thermodynamic solvation properties

(2009) Dominik Horinek et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular Dynamics Simulations of the Dynamic and Energetic Properties of Alkali and Halide Ions Using Water-Model-Specific Ion Parameters

(2009) In Suk Joung et al.   JOURNAL OF PHYSICAL CHEMISTRY B

On the Residence Time for Water in a Solute Hydration Shell: Application to Aqueous Halide Solutions

(2008) Damien Laage et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Determination of Alkali and Halide Monovalent Ion Parameters for Use in Explicitly Solvated Biomolecular Simulations

(2008) In Suk Joung et al.   JOURNAL OF PHYSICAL CHEMISTRY B

CHEMISTRY: Getting Specific About Specific Ion Effects

(2008) D. J. Tobias et al.   SCIENCE