Fahimeh shojaie - International Center for Science, High Technology & Environmental Sciences
Hamid Rasti - International Center for Science, High Technology & Environmental Sciences

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.

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