Finn forfatter "Verplancke, Hendrik"
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Verplancke, Hendrik; Diefenbach, Martin; Lienert, Jonas N.; Ugandi, Mihkel; Kitsaras, Marios-Petros; Roemelt, Michael; Stopkowicz, Stella; Holthausen, Max C. (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)Abstract We showcase here a dramatic failure of CCSD(T) theory that originates from the pronounced multi‐reference character of a key intermediate formed in the benzaldehyde amidation by N‐atom transfer from Pd(II) and ...