ABSTRACT

The theory of kinetics as a theory of an intermediate substance serves first of all to solve two main problems. The first problem is the quantum-chemical description of elementary acts, the total of which makes up a chemical process. This problem includes questions about the determination of the nature of intermediate substances and their thermodynamic characteristics, composition and structure of activated complexes of an elementary reaction for the calculation of the activation energy and entropy. Thus, we talk about a full or partial description of a topographic map of the potential energy of a system, which provides the information about potential holes, corresponding to the states of an intermediate substance, and an activated barrier separating one hole from another. The presence of such a topographic map of the potential energy of a system exactly determines the so-called chemical mechanism of a reaction.