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Using the dependence of the activation energy of 4-alkyl-1,3-dioxane formation on the pore diameter of zeolites, the catalytic activity of the latter in the Prins reaction was theoretically explained. The stabilization of a prereaction π-complex in the cavities of a number of zeolites ( $${\text{Na}}_{x}^{ + }$$ (H2O)y)[AlaSibOc], AlaPbOc, and Cax[H2O]yAlaSibOc) is studied by molecular dynamics methods...
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