Comparison of Theory and Practice in the Framework for Quantifying Interaction Capacity through Six Interaction Parameters Using tert-Butanol as a Target Molecule
Abstract:Molecular interactions are important for various areas of research. Interactions between a target molecule and probe molecules having their own interaction capacity can be quantified via six interaction parameters. The theoretical interaction energy can be calculated from the interaction parameters, while that of experimental is measured using a calorimeter. These two methods are proposed in this work to calculate them. The first is based on an equation linking Hansen's and Drago's parameters. The second metho… Show more
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