2 papers
cond-mat.soft2026
Local molecular motions encode time-resolved infrared spectra of proteins
Emanuel Dorbath, Peter Hamm, Gerhard Stock
Time-resolved infrared spectroscopy probes protein dynamics over timescales spanning more than ten orders of magnitude, yet the molecular motions underlying the observed kinetic si…
physics.chem-ph2024
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…