When theory meets experiment: What does it take to accurately predict 1H NMR dipolar relaxation rates in neat liquid water from theory?

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Authors: Dietmar Paschek, Johanna Busch, Angel Mary Chiramel Tony, Ralf Ludwig, Anne Strate, Nore Stolte, Harald Forbert, Dominik Marx

Journal title: The Journal of Chemical Physics

Journal number: 162

Journal publisher: AIP Publishing

Published year: 2025

DOI identifier: 10.1063/5.0249826

ISSN: 0021-9606