Cargando…
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...
| Autores principales: | , , , , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer Berlin Heidelberg
2020
|
| Materias: | |
| 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 |