Author/Authors :
Varandas، نويسنده , , A.J.C. and Pais، نويسنده , , A.A.C.C. and Marques، نويسنده , , J.M.C. and Wang، نويسنده , , W.، نويسنده ,
Abstract :
We report rate constants for the formation of HO2 and O3 using the chaperon mechanism, and with Ar as scattering partner. The ArHO2 and ArO3 potential energy surfaces have been written as a pairwise summation of realistic EHFACE2-type potentials for interactions involving Ar and reliable global DMBE potential surfaces for chemically stable triatomic species. The calculations have been carried out using the quasiclassical trajectory approach.
