Coupling of the Amide I Modes of the Glycine Dipeptide

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<jats:title>Abstract</jats:title> <jats:p>Several approaches to calculate the coupling between the two amide I modes of the glycine dipeptide are compared. The full (φ,  ψ) conformational space of the molecule is explored, and conditions for the validity of the different approaches are discussed.</jats:p>

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