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The influences of pore confinement and topology effect on ethylene dimerization over a series of zeolite, like HMOR, HZSM-5, HBEA and HMCM-22, have been systematically studied by density functional theory including dispersion interaction (DFT-D). Both of the stepwise and the concerted mechanisms are considered. Compared to the corresponding 8T models, the calculated activation energies are considerably...
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