Force Fields for Deep Eutectic Mixtures: Application to Structure and 2D-Infrared Spectroscopy

Kai Töpfer, Eric Boittier, Michael Devereux +3

Parametrizing energy functions for ionic systems can be challenging. Here, the total energy function for an eutectic system consisting of water, SCN${}^{-}$, K${}^{+}$ and acetamide is imp…