DFT Meets Wave-Function Methods for Accurate Structures and Rotational Constants of Histidine, Tryptophan, and Proline

[Image: see text] A new computational strategy has been applied to the conformational and spectroscopic properties in the gas phase of amino acids with very distinctive features, ranging from different tautomeric forms (histidine) to ring puckering (proline), and heteroaromatic structures with non-e...

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Detalles Bibliográficos
Autores principales: Barone, Vincenzo, Uribe Grajales, Lina Marcela, Di Grande, Silvia, Lazzari, Federico, Mendolicchio, Marco
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10510395/
https://www.ncbi.nlm.nih.gov/pubmed/37665117
http://dx.doi.org/10.1021/acs.jpca.3c04227

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10510395/
https://www.ncbi.nlm.nih.gov/pubmed/37665117
http://dx.doi.org/10.1021/acs.jpca.3c04227

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