Solution of a Puzzle: High-Level Quantum-Chemical Treatment of Pseudocontact Chemical Shifts Confirms Classic Semiempirical Theory

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Authors: Lucas Lang, Enrico Ravera, Giacomo Parigi, Claudio Luchinat, Frank Neese

Journal title: The Journal of Physical Chemistry Letters

Journal number: 11/20

Journal publisher: American Chemical Society

Published year: 2020

Published pages: 8735-8744

DOI identifier: 10.1021/acs.jpclett.0c02462

ISSN: 1948-7185