From the stability of colloidal suspensions to the charging of electrodes, electric double
layers play a pivotal role in aqueous systems. The interactions between interfaces, water …

Understanding of magnetic field (MF) effects observed during and after its action on water
and aqueous solutions is still a controversial issue although the effects have been reported …

Reaction rates of common organic reactions have been reported to increase by one to six
orders of magnitude in aqueous microdroplets compared to bulk solution, but the reasons for …

Kohn-Sham density functional theory (DFT) has become established as an indispensable
tool for investigating aqueous systems of all kinds, including those important in chemistry …

The electric double layer governs the processes of all charged surfaces in aqueous
solutions; however, elucidating the structure of the water molecules is challenging for even …

Classical 3-point rigid water models are most widely used due to their computational
efficiency. Recently, we introduced a new approach to constructing classical rigid water …

The mechanisms leading to the electrification of water when it comes in contact with
hydrophobic surfaces remains a research frontier in chemical science. A clear …

The position of electronic energy levels in a phase depends on the surface potentials at its
boundaries. Bringing two phases in contact at an interface will alter the surface potentials …

Spontaneous oxidation of compounds containing diverse X= Y moieties (eg, sulfonamides,
ketones, esters, sulfones) occurs readily in organic-solvent microdroplets. This surprising …

The calculation of a protein-ligand binding free energy based on molecular dynamics (MD)
simulations generally relies on a thermodynamic cycle in which the ligand is alchemically …