NMR Relaxation Rates of Quadrupolar Aqueous Ions from Classical Molecular Dynamics Using Force-Field Specific Sternheimer Factors.

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Authors: Iurii Chubak; Laura Scalfi; Antoine Carof; Benjamin Rotenberg

Journal title: Journal of Chemical Theory and Computation

Journal publisher: American Chemical Society

Published year: 2021

Published pages: Vol. 17, pp. 6006

DOI identifier: 10.1021/acs.jctc.1c00690

ISSN: 1549-9618