Density Functional Theory Calculations on Copper-Mediated Peroxide Decomposition Reactions: Implications for Jet Fuel Autoxidation

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Authors: Christopher M. Parks, Ehsan Alborzi, Simon G. Blakey, Anthony J. H. M. Meijer, Mohamed Pourkashanian

Journal title: Energy & Fuels

Journal number: 34/6

Journal publisher: American Chemical Society

Published year: 2020

Published pages: 7439-7447

DOI identifier: 10.1021/acs.energyfuels.0c00918

ISSN: 0887-0624