Thermal Rates and High-Temperature Tunneling from Surface Reaction Dynamics and First-Principles

Summary

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Authors: Florian Nitz, Liang Zhang, Nils Hertl, Igor Rahinov, Oihana Galparsoro, Alexander Kandratsenka, Theofanis N. Kitsopoulos, Daniel J. Auerbach, Hua Guo, Alec M. Wodtke, Dmitriy Borodin

Journal title: Journal of the American Chemical Society

Journal number: 146

Journal publisher: American Chemical Society

Published year: 2024

Published pages: 31538-31546

DOI identifier: 10.1021/jacs.4c09017

ISSN: 0002-7863