Density Functional Theory calculations on copper-mediated peroxide decomposition reactions. Implications for jet fuel autoxidation

Parks, C.M. orcid.org/0000-0001-8016-474X, Alborzi, E. orcid.org/0000-0002-2585-0824, Blakey, S.G. et al. (2 more authors) (2020) Density Functional Theory calculations on copper-mediated peroxide decomposition reactions. Implications for jet fuel autoxidation. Energy & Fuels, 34 (6). pp. 7439-7447. ISSN 0887-0624

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Copyright, Publisher and Additional Information: © 2020 American Chemical Society. This is an author-produced version of a paper subsequently published in Energy and Fuels. Uploaded in accordance with the publisher's self-archiving policy.
Dates:
  • Published (online): 26 May 2020
  • Published: 18 June 2020
Institution: The University of Sheffield
Academic Units: The University of Sheffield > Faculty of Engineering (Sheffield) > Department of Mechanical Engineering (Sheffield)
The University of Sheffield > Faculty of Science (Sheffield) > Department of Chemistry (Sheffield)
Funding Information:
FunderGrant number
EUROPEAN COMMISSION - HORIZON 2020755606
Depositing User: Symplectic Sheffield
Date Deposited: 03 Jun 2020 10:10
Last Modified: 16 Nov 2021 11:47
Status: Published
Publisher: American Chemical Society (ACS)
Refereed: Yes
Identification Number: https://doi.org/10.1021/acs.energyfuels.0c00918

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