A continuum solvent model of ion–ion interactions in water

Collins’s rule, Hofmeister effects and ionic dispersion interactions

(2014) Timothy T. Duignan et al.   CHEMICAL PHYSICS LETTERS

Ion Interactions with the Air–Water Interface Using a Continuum Solvent Model

(2014) Timothy T. Duignan et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A Continuum Solvent Model of the Partial Molar Volumes and Entropies of Ionic Solvation

(2014) Timothy T. Duignan et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Using Interpolation for Fast and Accurate Calculation of Ion–Ion Interactions

(2014) Miha Lukšič et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Ion Pairing in Aqueous Lithium Salt Solutions with Monovalent and Divalent Counter-Anions

(2013) Eva Pluhařová et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A Continuum Model of Solvation Energies Including Electrostatic, Dispersion, and Cavity Contributions

(2013) Timothy T. Duignan et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A Continuum Solvent Model of the Multipolar Dispersion Solvation Energy

(2013) Timothy T. Duignan et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Ab Initio Molecular Dynamics Approach to a Quantitative Description of Ion Pairing in Water

(2013) Eva Pluhařová et al.   Journal of Physical Chemistry Letters

Specific Cation Effects on Hemoglobin Aggregation below and at Physiological Salt Concentration

(2013) Luca Medda et al.   LANGMUIR

Hofmeister Phenomena: An Update on Ion Specificity in Biology

(2012) Pierandrea Lo Nostro et al.   CHEMICAL REVIEWS

Simulation study of ion pairing in concentrated aqueous salt solutions with a polarizable force field

(2012) Yun Luo et al.   FARADAY DISCUSSIONS

Ionic force field optimization based on single-ion and ion-pair solvation properties: Going beyond standard mixing rules

(2012) Maria Fyta et al.   JOURNAL OF CHEMICAL PHYSICS

Toward the Mechanism of Ionic Dissociation in Water

(2012) Andrew J. Ballard et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Like-Charge Ion Pairing in Water: An Ab Initio Molecular Dynamics Study of Aqueous Guanidinium Cations

(2012) Mario Vazdar et al.   Journal of Physical Chemistry Letters

Primitive models of ions in solution from molecular descriptions: A perturbation approach

(2011) John J. Molina et al.   JOURNAL OF CHEMICAL PHYSICS

Extension of COSMO-SAC Solvation Model for Electrolytes

(2010) Shu Wang et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Ionic force field optimization based on single-ion and ion-pair solvation properties

(2010) Maria Fyta et al.   JOURNAL OF CHEMICAL PHYSICS

Free Energies of Solvation with Surface, Volume, and Local Electrostatic Effects and Atomic Surface Tensions to Represent the First Solvation Shell

(2010) Junjun Liu et al.   Journal of Chemical Theory and Computation

Aqueous alkali halide solutions: can osmotic coefficients be explained on the basis of the ionic sizes alone?

(2010) Yu V. Kalyuzhnyi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Specific ion effects in colloidal and biological systems

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

Symmetric Electrolyte Nonrandom Two-Liquid Activity Coefficient Model

(2009) Yuhua Song et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Ion-specific thermodynamics of multicomponent electrolytes: A hybrid HNC/MD approach

(2009) Luboš Vrbka et al.   JOURNAL OF CHEMICAL PHYSICS

Structure-thermodynamics relation of electrolyte solutions

(2009) Immanuel Kalcher et al.   JOURNAL OF CHEMICAL PHYSICS

The AGBNP2 Implicit Solvation Model

(2009) Emilio Gallicchio et al.   Journal of Chemical Theory and Computation

Ion Pairing in Molecular Simulations of Aqueous Alkali Halide Solutions

(2009) Christopher J. Fennell et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Dielectric Interpretation of Specificity of Ion Pairing in Water

(2009) Mikael Lund et al.   Journal of Physical Chemistry Letters

Ions at the Air-Water Interface: An End to a Hundred-Year-Old Mystery?

(2009) Yan Levin et al.   PHYSICAL REVIEW LETTERS

Ab Initio Molecular Dynamics Study of a Highly Concentrated LiCl Aqueous Solution

(2008) L. Petit et al.   Journal of Chemical Theory and Computation

Specific Ion Binding to Nonpolar Surface Patches of Proteins

(2008) Mikael Lund et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY