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1J(15N,H) coupling constants for enaminones and NH‐forms of intramolecularly hydrogen‐bonded Schiff bases as model compounds for sp2‐hybridized nitrogen atoms are evaluated using density functional theory (DFT) to find the optimal functionals and basis sets. Ammonia is used as a test molecule and its one‐bond coupling constant is compared with experiment. A methylamine Schiff base of a truncated molecule...
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