Elucidating the Proton Transport Pathways in Liquid Imidazole with First-principles Molecular Dynamics
Long, Zhuoran, Atsango, Austin O., Napoli, Joseph A., Markland, Thomas E., Tuckerman, Mark E.Journal:
The Journal of Physical Chemistry Letters
DOI:
10.1021/acs.jpclett.0c01744
Date:
July, 2020
File:
PDF, 6.83 MB
2020