Theoretical kinetics study of the NO2+N Nonthermal Plasma system

The dynamic properties of the Oxygen abstraction reaction of NO2 are investigated in the constant pressure of 140.7 kPa and a constant temperature of 300K.the minimum energy path(MEP) is optimized at B3LYP/6-311G++(d,p) level, then the energy profiles are refined in this level. The theoretical rate constants are calculated by conventional transition state theory; those are in good agreement with the experimental results.

کلیدواژه ها:

conventional transition state theory ، ab initio calculations ، Nonthermal Plasma system