EXPERIMENTAL AND THEORETICAL STUDY OF INTERMOLECULAR INTERACTIONS IN THE RECOGNITION COMPLEX OF METHYLURACILE AND ACRYLAMIDE
Abstract
Structural and energetical parameters of the intermolecular interactions in the model recognition complex between the 1-methyluracyl and side chains of the ammoacids Asparagyine and GIutamine were determined. Enthalpy value of the complex formation, measured by the method of temperature dependent field ionization mass spec-trometry is equal to (-40,6±4,2) kJ/mole and it is in a good agreement with the values of interaction energy in two most favourable dimer configurations, calculated by MP2 and DFT methods.
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