Geometric consequences of electron delocalization for adenine tautomers in aqueous solution

Geometric consequences of electron delocalization were studied for all possible adenine tautomers in aqueous solution by means of ab initio methods {PCM(water)//DFT(B3LYP)/6-311+G(d,p)} and compared to those in the gas phase {DFT(B3LYP)/6-311+G(d,p)}. To measure the consequences of any type of reson...

Descripción completa

Detalles Bibliográficos
Autores principales: Raczyńska, Ewa D., Makowski, Mariusz
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Berlin Heidelberg 2014
Materias:
Original Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4072068/
https://www.ncbi.nlm.nih.gov/pubmed/24842324
http://dx.doi.org/10.1007/s00894-014-2234-4

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4072068/
https://www.ncbi.nlm.nih.gov/pubmed/24842324
http://dx.doi.org/10.1007/s00894-014-2234-4

Ejemplares similares