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The purpose of this study was to develop a physico-mathematical model and technique for estimation of chemical bond stability depending on electric field intensity of an extal point charge.A hypothesis for a possible physico-chemical mechanism of the formation of additional harmful gases in the rock destruc-tion by blasting was proposed.The theoretical basis of the hypothesis is the method of theretical evalu-ation of bond energy depending on the distance to a point charge,the third Coulomb centre.The quantum-mechanical model for calculating the electronic terms of molecules makes it possible to solve problems associated with the determination of parameters of molecules under the action of various phys-ical fields on the system under consideration.The model was approved for some diatomic molecules.The discrepancy between the experimental data and calculated data did not exceed 14％,which proves accu-racy of the obtained results.The model can be used in the field of research into the causes of gas-dynamic phenomena in underground coal mines,in studies of the degree of stability of nanostructured compo-nents of coal under physical influences,and in the theoretical design of new compounds and structures in the field of nanomaterial science and nanotechnology.