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...
| Main Authors: | , , |
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| Format: | Online |
| Language: | English |
| Published: |
Beilstein-Institut
2015
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4464336/ |