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Dihedral PESs for the acyclic sulfonamide model compounds. Solid line represents QM data and dashed line for MM data. Surfaces are in 3° increments for (a)–(c), 5° increment for (f), and 10° increments for the others. Discontinuities are related to simultaneous changes of dihedral or improper dihedral angles other than the one being scanned; pyramidal inversions of sulfonamide nitrogen atoms were particularly common in this respect.
