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QUBEKit: Automating the Derivation of Force Field Parameters from Quantum Mechanics

Lookup NU author(s): Joshua Horton, Dr Daniel Cole



This is the authors' accepted manuscript of an article that has been published in its final definitive form by American Chemical Society, 2019.

For re-use rights please refer to the publisher's terms and conditions.

Publication metadata

Author(s): Horton J, Allen AEA, Dodda LS, Cole DJ

Publication type: Article

Publication status: Published

Journal: Journal of Chemical Information and Modeling

Year: 2019

Volume: 59

Issue: 4

Pages: 1366-1381

Print publication date: 22/04/2019

Online publication date: 11/02/2019

Acceptance date: 11/02/2019

Date deposited: 12/02/2019

ISSN (print): 1549-9596

ISSN (electronic): 1549-960X

Publisher: American Chemical Society


DOI: 10.1021/acs.jcim.8b00767


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