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First principle kinetic studies of zeolite-catalyzed methylation reactions
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Si-29 NMR and UV-raman investigation of initial oligomerization reaction pathways in acid-catalyzed silica sol-gel chemistry
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Full theoretical cycle for both Ethene and Propene formation during Methanol-to-Olefin conversion in H-ZSM-5
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Theoretical elucidation of the reaction mechanism of methanol-to-olefin conversion in acidic zeolites
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- Conference Paper
- C3
- open access
First principle kinetic studies of zeolite-catalyzed methylation reactions: towards kinetic accuracy for rate constants
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- Journal Article
- A1
- open access
Assembly of cyclic hydrocarbons from ethene and propene in acid zeolite catalysis to produce active catalytic sites for MTO conversion
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- Conference Paper
- C3
- open access
Theoretical validation of a fully functional route to both ethene and propene formation for methanol-to-olefin conversion in H-ZSM-5
(2010) -
- Conference Paper
- C3
- open access
Identification of the driving forces in methanol-to-olefin conversion by modeling the zeolite cage and contents
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Theoretical insights on methylbenzene side-chain growth in ZSM-5 zeolites for methanol-to-olefin conversion
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The effect of confined space on the growth of naphthalenic species in a chabazite-type catalyst: a molecular modeling study