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Substituent effects on the stability of the four most stable tautomers of adenine and purine

Substituent effects at the C2-, C8- and N-positions of adenine and purine in their four the most stable tautomers are studied by means of B97D3/aug-cc-pvdz computation applying substituents of varying electronic properties: NO(2), CN, CHO, Cl, F, H, Me, OMe, OH and NH(2). The substituent effect is c...

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Detalles Bibliográficos
Autores principales: Szatylowicz, Halina, Jezuita, Anna, Marek, Paulina H., Krygowski, Tadeusz M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9072591/
https://www.ncbi.nlm.nih.gov/pubmed/35527924
http://dx.doi.org/10.1039/c9ra04615a