Development and Automation of the Theoretical and Graph Approach to Determine the Standard Enthalpy of the Formation of Cyclobutanol

This paper presents an algorithm for modeling the basis of homodesmotic reactions (HDR). the software generates a basis set of homodesmotic reactions for the compounds under study and calculates standard enthalpies of formation. For clarity of the developed algorithm, an example is given of determining the GDR basis for the cyclic organic compound cyclobutanol.