A Quantum Chemistry View on Two Archetypical Paramagnetic Pentacoordinate Nickel(II) Complexes Offers a Fresh Look on Their NMR Spectra

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Authors: Enrico Ravera, Lucia Gigli, Barbara Czarniecki, Lucas Lang, Rainer Kümmerle, Giacomo Parigi, Mario Piccioli, Frank Neese, Claudio Luchinat

Journal title: Inorganic Chemistry

Journal number: 60/3

Journal publisher: American Chemical Society

Published year: 2021

Published pages: 2068-2075

DOI identifier: 10.1021/acs.inorgchem.0c03635

ISSN: 0020-1669