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Published in 2020 at "Theoretical Chemistry Accounts"
DOI: 10.1007/s00214-020-02643-7
Abstract: Tryptophan and phenylakylamines (PAAs) are important biomolecules, which are involved in a myriad of processes. These molecules have been experimentally reported to exhibit N–H+…π interactions in their protonated form; however, this has not been theoretically…
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Keywords:
energy;
interactions protonated;
analyzing interactions;
using qtaim ... See more keywords