Cooperative Effects and Optimal Halogen Bonding Motifs for Self-Assembling Systems

[Image: see text] Halogen bonding, due to its directionality and tunable strength, is being increasingly utilized in self-assembling materials and crystal engineering. Using density functional theory (DFT) and molecular mechanics (OPLS/CM1Ax) calculations, multiply halogen bonded complexes of bromin...

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Detalles Bibliográficos
Autores principales: Yan, Xin Cindy, Schyman, Patric, Jorgensen, William L.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2014
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3993918/
https://www.ncbi.nlm.nih.gov/pubmed/24678636
http://dx.doi.org/10.1021/jp501553j

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3993918/
https://www.ncbi.nlm.nih.gov/pubmed/24678636
http://dx.doi.org/10.1021/jp501553j

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