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The hydrogen abstraction reaction Cl+CH 3 CN→HCl+CH 2 CN has been studied by direct dynamics method. The potential energy surface information has been obtained at the MP2/6-311G(d,p) level of theory and the energies along the minimum energy path are improved by QCISD (T)/6-311+G (d,p) calculations. The kinetic calculations of the reaction have been explored using the transition state...
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