On the solvation model and infrared spectroscopy of liquid water

Effect of (H2O)n (n = 0–3, 13) on the NH3 + OH reaction in the gas and liquid phases

“…In previous studies, many scholars have studied the solvation effect by adding solvent molecules and have achieved good results. [23][24][25] Therefore, the same idea is used in this paper to study the effect of water clusters on the NH 3 + OH reaction. The difference is that the former studied the spectral behavior by adding water molecules; we not only consider the solvation effect of water clusters but also the implicit solvent model and the proton transfer behavior, so we emphasize on the kinetic behavior.…”