Molecular dynamics simulations have been used to investigate the behavior of aqueous
sodium nitrate in interfacial environments. Polarizable potentials for the water molecules and …

A qualitative model of the nucleation of stable bubbles in water at room temperature is
suggested. This model is completely based on the property of the affinity of water at the …

The infrared spectrum of water molecules at the liquid/vapor interface of pure water and the
liquid/vapor interface of a water-methanol mixture is calculated using molecular dynamics. A …

Molecular dynamics simulations with polarizable interaction potentials were carried out to
understand the solvation structure of chloride and iodide anions in bulk and interfacial water …

The liquid interface is a narrow, highly anisotropic region, characterized by rapidly varying
density, polarity, and molecular structure. I review several aspects of interfacial solvation and …

Heterogeneous reactions of sea salt aerosol with various oxides of nitrogen lead to
replacement of chloride ion by nitrate ion. Studies of the photochemistry of a model system …

While there is increasing evidence for unique chemical reactions at interfaces, there are
fewer data on photochemistry at liquid–vapor junctions. This paper reports a comparison of …

The structure of aqueous NaCl 1 M solution was studied by Monte Carlo simulation data
obtained with 2117 rigid water molecules 40 Na+ and 40 Cl− at 293 K. The structural …

Classical molecular dynamics simulations of aqueous solutions of sodium chloride and
potassium fluoride at two different concentrations have been carried out using polarizable …

The solvent dynamic response to electronic transitions at several liquid/liquid interfaces is
studied using molecular dynamics computer simulations. The interfaces examined are …