Potential - energy surface of H Æ SO 2
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چکیده
The potential-energy surface for has been computed at the HF/6-311G** and MP2/6-311G** levels. The calculated H É 2 results conÐrm that trans-planar HOSO is a transition state but not a stable structure. The decomposition channel for the HOSO adduct has been studied by analysing the transition states and stationary points. The kinetic stimulus for the rearrangement and dissociation of the radical HOSO was calculated by means of RRKM theory.
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تاریخ انتشار 1997