Clark R, Ávila J, Gomes MC, Padua AAH13 April 2023Journal article Journal:The Journal of Physical Chemistry BVolume:127Issue:14, American Chemical Society (ACS), pp.3266 - 3277No abstract availableKeywords:34 Chemical Sciences , 3406 Physical Chemistry , 3407 Theoretical and Computational Chemistry DOI10.1021/acs.jpcb.2c08788