Methodology for the Calculation of the P
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Aziz Ghoufi; Pierre Archirel; Jean-Pierre Morel; Nicole Morel-Desrosiers; Anne B
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Article
📅
2007
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John Wiley and Sons
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English
⚖ 252 KB
## Abstract We report potential of mean force (PMF) calculations on the interaction between the p‐sulfonatocalix[4]arene and a monovalent cation (Cs^+^). It has been recently shown from microcalorimetry and ^133^Cs NMR experiments that the association with Cs^+^ is governed by favourable cation–__π