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First principle investigation of the linker length effects on the thermodynamics of divalent pseudorotaxanes
The Gibbs energies of association (Gibbs free (binding) energies) for divalent crown-8/ammonium pseudorotaxanes are determined by investigating the influence of different linkers onto the binding. Calculations are performed with density functional theory including dispersion corrections. The transla...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Beilstein-Institut
2015
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4464336/ https://www.ncbi.nlm.nih.gov/pubmed/26124872 http://dx.doi.org/10.3762/bjoc.11.78 |