First principles rates for surface chemistry employing exact transition state theory: application to recombinative desorption of hydrogen from Cu(111)

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Authors: Oihana Galparsoro, Sven Kaufmann, Daniel J. Auerbach, Alexander Kandratsenka, Alec M. Wodtke

Journal title: Physical Chemistry Chemical Physics

Journal number: 22/31

Journal publisher: Royal Society of Chemistry

Published year: 2020

Published pages: 17532-17539

DOI identifier: 10.1039/d0cp02858d

ISSN: 1463-9076