Ab Initio Prediction of NMR Spin Relaxation Parameters from Molecular Dynamics Simulations

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Authors: Po-chia Chen, Maggy Hologne, Olivier Walker, Janosch Hennig

Journal title: Journal of Chemical Theory and Computation

Journal number: 14/2

Journal publisher: American Chemical Society

Published year: 2018

Published pages: 1009-1019

DOI identifier: 10.1021/acs.jctc.7b00750

ISSN: 1549-9618