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A systemic theoretical study on the decomposition of 2,2-dimethoxypropane (DMP) and 2,2-diethoxypropane (DEP) in the condensed phase has been carried out. The four-center cyclic transition state is studied using the B3LYP method in DFT and the PCM and COSMORS models within the self-consistent reaction filed (SCRF) theory. The results indicate that the solvent effect and tunneling effect must be taken...
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