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Based on the ab initio results of reactants, products and saddle point at the CCSD(T)/aug-cc-pvtz level, a modified analytical potential energy surface (PES) for Cl+CH 4 →HCl+CH 3 reaction is calibrated. In this process, the geometries and vibrational frequencies of the reactants, the products and the saddle point are adjusted, and the experimental rate constants are also emphasized...
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