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Discovering the stacking landscape of a pyridine-pyridine system

Extremely extensive calculations of potential energy surfaces for the parallel-displaced configuration of pyridine dimer systems have been carried out using a dispersion-corrected density functional. Instead of focusing on stationary geometries these calculations provide much deeper insight into the...

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Detalles Bibliográficos
Autor principal: Sierański, Tomasz
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Berlin Heidelberg 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5680376/
https://www.ncbi.nlm.nih.gov/pubmed/29124340
http://dx.doi.org/10.1007/s00894-017-3496-4

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