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Supramolecular chemistry / Ethers / Acid dissociation constant / Physical chemistry / Acetic acid / Hydrogen bond / Acid strength / Jerry Donohue / Chemistry / Acids / Equilibrium chemistry


Creation of a ternary complex between a crown ether, 4-aminobenzoic acid and 3,5-dinitrobenzoic acid
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Document Date: 2014-02-03 14:08:44


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Stahly / Horton / Bradford / Oxfordshire / Madison / Berlin / Babu / Hursthouse / /

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CrystalMaker Software Ltd / Sigma-Aldrich / Monoclinic / Wilson / J. Pharm / /

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United States / United Kingdom / /

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Surface Science Institute / University of Bradford / University of Limerick / /

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binary and ternary systems / similar energy / differential evolution global optimization algorithm / intermolecular binding energy / energy evaluations / optimization algorithm / trial solutions / database search / carboxylic acid groups / evolutionary algorithm / amino / higher-energy solution / interaction energy / lower energy / active pharmaceutical ingredients / lowest-energy minima / organic systems / energy / atom site / on similar principles to genetic algorithms / search method / child solution / carboxylate / higher energy / binary systems / space / low-energy solution / /

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International Union of Crystallography / University of Limerick / Science Foundation Ireland / bSSPC / Materials and Surface Science Institute / University of Bradford / /

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Taylor / J. Scowena / Seaton / Salmon / Nicole D. Boardman / Issa / Berry / Colin C. Seatonb / /

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radiation / X-ray / evolutionary algorithm / optimization algorithm / crystallization / recombination / /

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