Computation of methodology-independent single-ion solvation properties from molecular simulations. III. Correction terms for the solvation free energies, enthalpies, entropies, heat capacities, volumes, compressibilities, and expansivities of solvated ions

Computation of methodology-independent single-ion solvation properties from molecular simulations. IV. Optimized Lennard-Jones interaction parameter sets for the alkali and halide ions in water

(2011) Maria M. Reif et al.   JOURNAL OF CHEMICAL PHYSICS

The surface potential of solvent and the intraphase pre-existing potential

(2011) L. I. Krishtalik   RUSSIAN JOURNAL OF ELECTROCHEMISTRY

Rational design of ion force fields based on thermodynamic solvation properties

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

Molecular Dynamics Simulations of a Reversibly Folding β-Heptapeptide in Methanol: Influence of the Treatment of Long-Range Electrostatic Interactions

(2009) Maria M. Reif et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The Standard Partial Molar Volumes of Ions in Solution. Part 4. Ionic Volumes in Water at 0−100 °C

(2009) Yizhak Marcus   JOURNAL OF PHYSICAL CHEMISTRY B

Surface Potential at the Air−Water Interface Computed Using Density Functional Theory

(2009) Kevin Leung   Journal of Physical Chemistry Letters

Electronic Effects on the Surface Potential at the Vapor−Liquid Interface of Water

(2009) Shawn M. Kathmann et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Single ion hydration free energies: A consistent comparison between experiment and classical molecular simulation

(2008) Henry S. Ashbaugh et al.   JOURNAL OF CHEMICAL PHYSICS

On the origin of the electrostatic potential difference at a liquid-vacuum interface

(2008) Edward Harder et al.   JOURNAL OF CHEMICAL PHYSICS

Comparison of the Solvation Structure of Polarizable and Nonpolarizable Ions in Bulk Water and Near the Aqueous Liquid−Vapor Interface

(2008) G. Lee Warren et al.   Journal of Physical Chemistry C

Tetraalkylammonium Ions in Aqueous and Non-aqueous Solutions

(2008) Yizhak Marcus   JOURNAL OF SOLUTION CHEMISTRY

Electronic Effects on the Surface Potential at the Vapor−Liquid Interface of Water

(2008) Shawn M. Kathmann et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Ionic Work Function and its Role in Estimating Absolute Electrode Potentials

(2008) W. Ronald Fawcett   LANGMUIR

Influence of nonlinear electrostatics on transfer energies between liquid phases: Charge burial is far less expensive than Born model

(2008) H. Gong et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA