Effects of Cations on the Structure, Dynamics and Vibrational Sum Frequency Generation Spectroscopy of Liquid Vapor Interfaces of Aqueous Solutions of Monovalent and Divalent Metal Nitrates

This work presents a computational study of the effects of cations on the structure, dynamics and vibrational sum frequency generation spectroscopy of liquid/vapor interfaces of aqueous solutions of monovalent and divalent metal nitrate salts through molecular dynamics simulations combined with nonlinear spectral calculations