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Bryan Lauw

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Wodynski A, Lauw B, Reimann M, Kaupp M
J Chem Theory Comput . 2024 Feb; 20(5):2033-2048. PMID: 38411554
A small set of mononuclear manganese complexes evaluated previously for their Mn hyperfine couplings (HFCs) has been analyzed using density functionals based on the exact-exchange energy density─in particular, the spin...