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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2014
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| 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 |