Abstract
The partial potential energy surface is constructed using ab initio method [QCISD (T)/6-311++G (2df, 2dp)] for F+CH 4→HF+CH 3 reaction. It not only explains the reaction mechanism brought forward by D. Troya, but also successfully validates K.P. Liu's experimental phenomena about the existence of a reactive resonance. Finally, we estimate the lifetime of the scattering resonance state, which is about 0.07 ps. All these are in agreement with the experiments.
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