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Modeling Molecular Emitters in Organic Light-Emitting Diodes with the Quantum Mechanical Bespoke Force Field

Lookup NU author(s): Josh HortonORCiD, Professor Thomas Penfold, Dr Daniel ColeORCiD

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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.


Publication metadata

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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