화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.106, No.49, 11911-11916, 2002
Dynamics study of the O-2+HO2 atmospheric reaction with both reactants highly vibrationally excited
We report a theoretical study of the title five-atom atmospheric reaction for vibrationally excited states Of O-2 over the range 18 less than or equal to v less than or equal to 27, and initial vibrational energies of HO2 over the range 36 less than or equal to E-v/kcalmol(-1) less than or equal to 51. All calculations have employed the quasiclassical trajectory method and the realistic double many-body expansion potential energy surface recently reported for HO4((2)A). The results indicate that it can be a potential source of ozone in the upper atmosphere.