An electron density based analysis to establish the electronic adiabaticity of proton coupled electron transfer reactions

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Authors: Umberto Raucci, Maria Gabriella Chiariello, Federico Coppola, Fulvio Perrella, Marika Savarese, Ilaria Ciofini, Nadia Rega

Journal title: Journal of Computational Chemistry

Journal number: 41/20

Journal publisher: John Wiley & Sons Inc.

Published year: 2020

Published pages: 1835-1841

DOI identifier: 10.1002/jcc.26224

ISSN: 0192-8651