Vibrational spectroscopy of deprotonated peptides containing an acidic side chain
International Journal of Mass Spectrometry, 2019, 435, 42-50
Strategy for Modeling the Infrared Spectra of Ion-Containing Water Drops
J. Phys. Chem. A 2018, 122, 3, 832-842
AMOEBA Polarizable Force Field Parameters of the Heme Cofactor in Its Ferrous and Ferric Forms
J. Chem. Theory Comput. 2018, 14, 5, 2705-2720
Vibrational mode assignment of finite temperature infrared spectra using the AMOEBA polarizable force field