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On Aromaticity of the Aromatic α-Amino Acids and Tuning of the NICS Indices to Find the Aromaticity Order

[Image: see text] The NICS aromaticity indices of the rings in flexible phenylalanine (Phe), tryptophan (Trp), tyrosine (Tyr), and histidine (His) chiral molecules were analyzed. These molecules have several dozens of conformers, and their rings are slightly non-planar. Therefore, the population-ave...

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Detalles Bibliográficos
Autores principales: Dudek, Wojciech M., Ostrowski, Sławomir, Dobrowolski, Jan Cz.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9189847/
https://www.ncbi.nlm.nih.gov/pubmed/35617165
http://dx.doi.org/10.1021/acs.jpca.2c00346