Molecular Dynamics of Artificially Pair-Decoupled Systems: An Accurate Tool for Investigating the Importance of Intramolecular Couplings

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Authors: Michele Gandolfi and Michele Ceotto

Journal title: Journal of Chemical Theory and Computation

Journal publisher: American Chemical Society

Published year: 2023

DOI identifier: 10.1021/acs.jctc.3c00553

ISSN: 1549-9618