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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...
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| Auteurs principaux: | , , |
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| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
American Chemical
Society
2014
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| Accès en ligne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3993918/ https://ncbi.nlm.nih.gov/pubmed/24678636 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp501553j |
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