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Lookup NU author(s): Josh HortonORCiD, Professor Thomas Penfold, Dr Daniel ColeORCiD
This is the authors' accepted manuscript of an article that has been published in its final definitive form by American Chemical Society, 2021.
For re-use rights please refer to the publisher's terms and conditions.
Author(s): Yang L, Horton JT, Payne MC, Penfold TJ, Cole DJ
Publication type: Article
Publication status: Published
Journal: Journal of Chemical Theory and Computation
Year: 2021
Volume: 17
Issue: 8
Pages: 5021–5033
Online publication date: 15/07/2021
Acceptance date: 06/07/2021
Date deposited: 13/07/2021
ISSN (print): 1549-9618
ISSN (electronic): 1549-9626
Publisher: American Chemical Society
URL: https://doi.org/10.1021/acs.jctc.1c00135
DOI: 10.1021/acs.jctc.1c00135
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