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The central point of this work concerns the delicate balance between neutral and zwitterionic resonance structures that governs the relative barrier height for the crucial C2-C3 and C3-C4 bond rotations. Finally, a set of calculations on yet unreported derivatives highlights how this balance and hence the barrier heights can be tuned through variation of the donor-acceptor strength as well as the solvent polarity.Misfolded amyloid peptides are neurotoxic molecules associated with Alzheimer's disease. The Aβ21-30 peptide fragment is a deca
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