“…In particular, the methods of molecular dynamics allows to obtain the most complete description of the dependence of the probabilities of physicochemical processes on the quantum states (rotational, vibrational, electronic) of reacting particles in a wide temperature range. The complete sets of state-to-state rate constants acquired in this way can be used both to obtain averaged characteristics of the reacting system (for example, thermal rate constants), or used directly in kinetic models for thermally nonequilibrium gas observed, for example, in flows with shock waves [2][3][4][5][6][7][8][9] and detonation waves [10][11][12][13][14], flows in a supersonic nozzle [15][16][17], in gas Disclaimer/Publisher's Note: The statements, opinions, and data contained in all publications are solely those of the individual author(s) and contributor(s) and not of MDPI and/or the editor(s). MDPI and/or the editor(s) disclaim responsibility for any injury to people or property resulting from any ideas, methods, instructions, or products referred to in the content.…”