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Theoretical investigation of the side-chain mechanism of the MTO process over H-SSZ-13 using DFT and ab initio calculations
2021
Catalysis science & technology
Preserved Fulltext
The side-chain mechanism of the methanol-to-olefins process over the H-SSZ-13 acidic zeolite was investigated using periodic density functional theory with corrections from highly accurate ab intio calculations on large cluster models.
doi:10.1039/d1cy00433f
fatcat:lmnf7q3gozhg7omfo5zv4sybfm