Monte Carlo studies of the structure of dilute aqueous sclutions of Li+, Na+, K+, F−, and Cl−

Water: A Comprehensive Treatise

1979 • 4,040 citations

A Theory of Water and Ionic Solution, with Particular Reference to Hydrogen and Hydroxyl Ions

1933 • 3,085 citations

Volumen und Hydratationswärme der Ionen

1920 • 2,234 citations

What is "liquid"? Understanding the states of matter

1976 • 2,050 citations

Ion-solvent interaction. Structural aspects of ion-solvent interaction in aqueous solutions: a suggested picture of water structure

1957 • 1,801 citations

CI study of the water dimer potential surface

1976 • 1,162 citations

The Nature of the Chemical Bond and the Structure of Molecules and Crystals

1940 • 809 citations

Ionic processes in solution

1953 • 751 citations

Water and Aqueous Solutions

1992 • 642 citations

A general analysis of noncovalent intermolecular interactions

1977 • 282 citations

Study of the structure of molecular complexes. V. Heat of formation for the Li+, Na+, K+, F−, and Cl− ion complexes with a single water molecule

1973 • 241 citations

A neutron diffraction study of hydration effects in aqueous solutions

1977 • 216 citations

Study of the structure of molecular complexes. VIII. Small clusters of water molecules surrounding Li+, Na+, K+, F−, and Cl− ions

1974 • 199 citations

The Deduction of Reaction Mechanisms from the Theory of Absolute Rates

1937 • 195 citations

Monte Carlo studies on the structure of a dilute aqueous solution of methane

1978 • 191 citations

A Monte Carlo study of ion–water clusters

1976 • 147 citations

Structural analysis of molecular solutions based on quasi-component distribution functions. Application to [H2CO]aq at 25.degree.C

1980 • 134 citations

Permittivity and dielectric and proton magnetic relaxation of aqueous solutions of the alkali halides

1970 • 133 citations

Structural properties of ionic liquids

1980 • 127 citations

Study of the structure of molecular complexes. Coordination numbers for Li+, Na+, K+, F− and Cl− in water

1978 • 110 citations

Ab initio calculation of the free energy of liquid water

1978 • 107 citations

A Molecular Dynamics Study of Aqueous Solutions. VII. Improved Simulation and Comparison with X-Ray Investigations of a NaCl Solution

1977 • 106 citations

Utility of the concept of water structure in the rationalization of the properties of aqueous solutions of proteins and small molecules

1969 • 91 citations

Convergence characteristics of Monte Carlo–Metropolis computer simulations on liquid water

1979 • 81 citations

Ion-Solvent and Solvent-Solvent Interactions. X-ray Study of Aqueous Alkali Chloride Solutions

1980 • 81 citations

Study of the structure of molecular complexes

1976 • 73 citations

A Molecular Dynamics Study of Aqueous Solutions I. First Results for LiCl in H₂O

1974 • 72 citations

A theoretical study of the structure of liquid water based on quasi-component distribution functions

1977 • 66 citations

Quantum and statistical mechanical studies of liquids. 2. Monte-Carlo simulations of liquid hydrogen fluoride

1978 • 65 citations

X-ray diffraction study of LiBr aqueous solutions

1975 • 62 citations

Coordination number for the Li+–F− ion pair in water

1975 • 52 citations

A theoretical study of the lithium fluoride molecule in water

1974 • 49 citations

Monte Carlo computer simulation of hydrophobic bonding

1979 • 48 citations

X-ray diffraction studies of alkali halide solutions

1973 • 35 citations

A Molecular Dynamics Study of Aqueous Solutions

1976 • 35 citations

Use of a non-pair-additive intermolecular potential function to fit quantum-mechanical data on water molecule interactions

1977 • 34 citations

A Molecular Dynamics Study of Aqueous Solutions II. Cesium Chloride in H₂O

1975 • 31 citations

A Molecular Dynamics Study of Aqueous Solutions VI. Remarks on the Hydration Numbers of Alkali and Halide Ions

1977 • 27 citations

A Molecular Dynamics Study of Aqueous Solutions V. Angular Distribution of the Water Dipoles in the Hydration Shells of Various Alkali-and Halide Ions

1976 • 22 citations

A statistical thermodynamic supermolecule-continuum study of ion hydration: Cell and shell methods

1978 • 10 citations