Journal of Physical Chemistry A, Vol.103, No.25, 4815-4822, 1999
Dynamics study of the HO(v'=0)+O-2(v'') branching atmospheric reaction. 1. Formation of hydroperoxyl radical
We report a theoretical study of the title four-atom atmospheric reaction for a range of translational energies 0.1 less than or equal to E-tr/kcal mol(-1) less than or equal to 40 and the range 13 less than or equal to upsilon " less than or equal to 27 of vibrational quantum numbers of the oxygen molecule. All calculations have employed the quasiclassical trajectory method, and a realistic potential energy surface obtained by using the double many-body expansion (DMBE) method for ground-state HO3.