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

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

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

Simulating Monovalent and Divalent Ions in Aqueous Solution Using a Drude Polarizable Force Field

(2010) Haibo Yu et al.   Journal of Chemical Theory and Computation

Rational design of ion force fields based on thermodynamic solvation properties

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

Development of OPLS-AA Force Field Parameters for 68 Unique Ionic Liquids

(2009) Somisetti V. Sambasivarao et al.   Journal of Chemical Theory and Computation

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

Polarizable Force Field Development and Molecular Dynamics Simulations of Ionic Liquids

(2009) Oleg Borodin   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular simulation of ionic liquids: current status and future opportunities

(2009) E J Maginn   JOURNAL OF PHYSICS-CONDENSED MATTER

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

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

Hydration free energy of a Model Lennard-Jones solute particle: Microscopic Monte Carlo simulation studies, and interpretation based on mesoscopic models

(2008) Magdalena Gruziel et al.   JOURNAL OF CHEMICAL PHYSICS

The solvation of NaCl in model water with different hydrogen bond strength

(2008) B. Gu et al.   JOURNAL OF CHEMICAL PHYSICS

Charge Asymmetries in Hydration of Polar Solutes

(2008) David L. Mobley 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

Dielectric Relaxation, Ion Conductivity, Solvent Rotation, and Solvation Dynamics in a Room-Temperature Ionic Liquid

(2008) Youngseon Shim et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The non-ideal solvation of NaCl in solvent: a simulation study

(2008) B. Gu et al.   MOLECULAR PHYSICS