Abstract
The orientational dependence of the exterior electron densities was calculated by ab initio RHF method in the CF 3H + Ar( 3P) →CF * 3 + H + Ar reaction to account for the electron-exchange mechanism. The results showed that the 6a 1 orbital of CF 3H is responsible for the two reactive sites on the molecular axis and the la 2 orbital for the side-on reactive site, confirming a close relationship between the spatial distribution of the molecular orbitals and the shape of opacity function.
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