The fate of DCl molecules striking pure glycerol and a 2.6 M NaI− glycerol solution is
investigated using scattering, uptake, and residence time measurements. We find that …

The solvation of halide ions at the water/vapor interface is investigated by using molecular
dynamics simulations with nonpolarizable molecular mechanical (MM), polarizable MM, and …

We present full-dimensional potential energy surfaces (PESs) for hydrated chloride based
on the sum of ab initio (H2O) Cl−,(H2O) 2, and (H2O) 3 potentials. The PESs are shown to …

Internal structures, hygroscopic properties and heterogeneous reactivity of mixed
CH3SO3Na/NaCl particles were investigated using a combination of computer modeling …

This paper reports on studies of the interactions of halide ions with water. The standard
Hartree–Fock (HF) method was used to calculate the interaction between each of the four …

Nitrate and halide ions coexist in particles generated in marine regions, around alkaline dry
lakes, and in the Arctic snowpack. Although the photochemistry of nitrate ions in bulk …

Surface second harmonic generation (SSHG) has been used to study the two successive
acid/base equilibria of eosin B at the air/water interface. Surface tension measurements …

Molecular dynamics (MD) computer simulations are carried out for scattering of high‐energy
Xe atoms off liquid squalane, and the results are compared with those of molecular‐beam …

The photochemistry of nitrate ions in bulk aqueous solution is well known, yet recent
evidence suggests that the photolysis of nitrate may be more efficient at the air–water …

A theoretical study of the hydration of arsenious acid is presented. This study included ab
initio calculations and Monte Carlo simulations. The model potentials used for the …