A special algorithm has been developed by which the heat evolved can be expressed as a function of sp. site enthalpy and sp. cooperative enthalpies for each class of sites. The algorithms represents the math. analog of the interconnections between components in some types of complex macrospecies of the chem. model assumed and their deconvolution into microspecies. A computer program was also developed; flow chart is not presented.
Calculation of site enthalpy for binding of ligands and protons to macromolecules / E. Fisicaro; A. Braibanti; J.D. Lamb; J. L. Oscarson. - In: THERMOCHIMICA ACTA. - ISSN 0040-6031. - 168(1990), pp. 161-178. [10.1016/0040-6031(90)]
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