Theoretical studies of anharmonic effect on the main reactions involving in NO2 in fuel burning

Effect of (H2O)n (n = 0–3, 13) on the NH3 + OH reaction in the gas and liquid phases

“…Similarly, the translation and rotation of the solvent contribute to the reaction. On the other hand, the addition of water molecules to the NH 3 + OH reaction results in an increase in the free energy of the reactants due to the low frequency and nonharmonic vibration [43][44][45] modes of the water molecules. In addition to these factors, there may be other factors that can affect the rate.…”

Effect of Engine Speeds and Dimethyl Ether on Methyl Decanoate HCCI Combustion and Emission Characteristics Based on Low-Speed Two-Stroke Diesel Engine

“…Calculation of the reaction channel and transition state were completed by the research group. [45] The calculated results of the rate constants were compared with the experimental data to observe the effect of adding anharmonic effect to the rate constant. The anharmonic effect cannot be ignored when the differences between the calculated results and the experimental data are large; however, small differences indicate that the anharmonic effect can be ignored.…”

Empirical quality criteria for the approximation of the electronic term of a diatomic molecule by the Morse formula

“…The Morse model potential [1], despite a very rough approximation, is widely used in molecular spectroscopy and in other areas of optics and chemical physics. According to the Chemical Abstracts Service, over 6,000 references are given on the request " Morse Formula" Ȧs an example, we present random selections of recent studies in the field of spectroscopy [2][3][4][5][6][7][8][9][10][11][12][13], the influence of an external field, laser dissociation of moleculescool [14][15][16][17][18][19][20][21][22][23][24], thermodynamics, kinetics [25][26][27][28][29][30][31][32][33][34], solid and liquid physicssti [35][36][37][38][39][40][41][42][43][44], intermolecular interactions [45][46][47]…”