J. Phys. Chem. B 2020, 124, 3, 461-469. DOI: 10.1021/acs.jpcb.9b08506 . Publication Group Center Publications: 2019-2023 Author List Simmonds, A. L.; Lopez-Clavijo, Andrea F.; Winn, P. J.; Russell, D. H.; Styles, I. B.; Cooper, H. J.