Purine tautomeric preferences and bond-length alternation in relation with protonation-deprotonation and alkali metal cationization

Quantum chemical calculations were carried out for deprotonated (P(−)) and protonated purine (PH(+)) and for adducts with one alkali metal cation (P(−)M(+) and PM(+), where M(+) is Li(+) or Na(+)) in the gas phase {B3LYP/6-311+G(d,p)}, a model of perfectly apolar environment, and for selected struct...

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Detalles Bibliográficos
Autores principales: Raczyńska, Ewa D., Gal, Jean-François, Maria, Pierre-Charles, Kamińska, Beata, Igielska, Małgorzata, Kurpiewski, Julian, Juras, Weronika
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Berlin Heidelberg 2020
Materias:
Original Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7256107/
https://www.ncbi.nlm.nih.gov/pubmed/32248379
http://dx.doi.org/10.1007/s00894-020-4343-6

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7256107/
https://www.ncbi.nlm.nih.gov/pubmed/32248379
http://dx.doi.org/10.1007/s00894-020-4343-6

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