π-π stacking tackled with density functional theory

Through comparison with ab initio reference data, we have evaluated the performance of various density functionals for describing π-π interactions as a function of the geometry between two stacked benzenes or benzene analogs, between two stacked DNA bases, and between two stacked Watson–Crick pairs....

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Detalles Bibliográficos
Autores principales: Swart, Marcel, van der Wijst, Tushar, Fonseca Guerra, Célia, Bickelhaupt, F. Matthias
Formato: Texto
Lenguaje:English
Publicado: Springer-Verlag 2007
Materias:
Original Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2039870/
https://www.ncbi.nlm.nih.gov/pubmed/17874150
http://dx.doi.org/10.1007/s00894-007-0239-y

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2039870/
https://www.ncbi.nlm.nih.gov/pubmed/17874150
http://dx.doi.org/10.1007/s00894-007-0239-y

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