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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...
Autores principales: | Szatylowicz, Halina, Jezuita, Anna, Marek, Paulina H., Krygowski, Tadeusz M. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2019
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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 |
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