Bridging Calorimetry and Simulation through Precise Calculations of Cucurbituril-Guest Binding Enthalpies.

J Chem Theory Comput · 2014 · PMC4159218 · PMID 25221445

Europe PMC DOI

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closest p

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a weak trendno p-value reported

Moreover, there is only a weak trend for the net solvent contribution to become more unfavorable as the solute–solute Lennard-Jones interaction becomes more favorable.

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