Quadrupolar NMR Relaxation of Aqueous 127I–, 131Xe, and 133Cs+: A First-Principles Approach from Dynamics to Properties
Author:
Affiliation:
1. Department of Chemistry, University at Buffalo, The State University of New York, Buffalo, New York 14260-3000, United States
Funder
National Science Foundation
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00581
Reference65 articles.
1. A molecular approach to quadrupole relaxation. Monte Carlo simulations of dilute Li+, Na+, and Cl− aqueous solutions
2. Molecular dynamic simulation of quadrupole relaxation of atomic ions in aqueous solution
3. Ionic quadrupolar relaxation in aqueous solution: dynamics of the hydration sphere
4. Molecular Dynamics Simulations of Quadrupolar Relaxation of 131Xe in Methanol. An Ellipsoidal Picture of the Electric Field Gradient Tensor
5. Quadrupolar Relaxation of 21Ne, 83Kr, and 131Xe Dissolved in Acetonitrile. A Molecular Dynamics Study
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