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Stress Analysis at the Molecular Level: A Forced Cucurbituril-Guest Dissociation Pathway
Changes in mechanical stresses in a tight-binding host-guest system were computed and visualized as the cationic was computationally pulled out of the cucurbituril host in a series of steps. A sharp conformational transition was observed as one of the guest's ammonium groups jumped through the...
Tallennettuna:
| Päätekijä: | |
|---|---|
| Aineistotyyppi: | Artigo |
| Kieli: | Inglês |
| Julkaistu: |
2010
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| Aiheet: | |
| Linkit: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3686568/ https://ncbi.nlm.nih.gov/pubmed/23794959 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct900668k |
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