QFPR Analysis for Selectivity of between Na + and Li + Ions to 12-Crown-4: by a Monte Carlo Simulation Study
We investigated the solvent effects on the relative free energies of binding of $Na^+$ and $Li^+$ ions to 12-crown-4 and ${\Delta}log\;K_s$ (the difference of stability constant of binding) by a Monte Carlo simulation of statistical perturbation theory (SPT) in several solvents. Comparing the relati...
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| Veröffentlicht in: | Bulletin of the Korean Chemical Society 2010, Vol.31 (10), p.2823-2829 |
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| Format: | Artikel |
| Sprache: | kor |
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