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Atom interaction propensities of oxygenated chemical functions in crystal packings

The crystal contacts of several families of hydrocarbon compounds substituted with one or several types of oxygenated chemical groups were analyzed statistically using the Hirshfeld surface methodology. The propensity of contacts to occur between two chemical types is described with the contact enri...

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Detalles Bibliográficos
Autores principales: Jelsch, Christian, Bibila Mayaya Bisseyou, Yvon
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5330527/
https://www.ncbi.nlm.nih.gov/pubmed/28250955
http://dx.doi.org/10.1107/S2052252516020200