Show
Sort by
-
First principle kinetic studies of zeolite-catalyzed methylation reactions
-
Si-29 NMR and UV-raman investigation of initial oligomerization reaction pathways in acid-catalyzed silica sol-gel chemistry
-
Full theoretical cycle for both Ethene and Propene formation during Methanol-to-Olefin conversion in H-ZSM-5
-
- 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) -
- 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
-
Theoretical elucidation of the reaction mechanism of methanol-to-olefin conversion in acidic zeolites
-
- Conference Paper
- C3
- open access
First principle kinetic studies of zeolite-catalyzed methylation reactions: towards kinetic accuracy for rate constants
-
Theoretical evaluation of zeolite confinement effects on the reactivity of bulky intermediates
-
Multi-level modeling of silica-template interactions during initial stages of zeolite synthesis
-
- Conference Paper
- C3
- open access
Deactivation of the catalyst during the MTO process from a molecular modeling perspective
-
- Conference Paper
- C3
- open access
Growth of naphthalenic HP species: influence of the CHA topology from a molecular modeling perspective
-
- Conference Paper
- C3
- open access
Naphthalene derivatives in the MTO process from a molecular modeling perspective: reactive species or coke?
-
- Conference Paper
- C3
- open access
Theoretical verification of the alkene hydrocarbon pool cycle for MTO conversion in ZSM-5
-
- Conference Paper
- C3
- open access
Theoretical identification of the interactions between the zeolite framework and the hydrocarbon pool co-catalyst in methanol-to-olefin conversion
-
Theoretical insights on methylbenzene side-chain growth in ZSM-5 zeolites for methanol-to-olefin conversion