- ORCID iD
- 0000-0002-6735-0078
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- Journal Article
- A1
- open access
Operando modeling of zeolite-catalyzed reactions using first-principles molecular dynamics simulations
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- Journal Article
- A1
- open access
Universal descriptors for zeolite topology and acidity to predict the stability of butene cracking intermediates
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- Journal Article
- A1
- open access
Acidity effect on benzene methylation kinetics over substituted H-MeAlPO-5 catalysts
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- Journal Article
- A2
- open access
Mobility and reactivity of Cu+ species in Cu-CHA catalysts under NH3-SCR-NOx reaction conditions : insights from AIMD simulations
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- Journal Article
- A1
- open access
Coordination and activation of nitrous oxide by iron zeolites
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- Journal Article
- A1
- open access
Experimental and theoretical evidence for the promotional effect of acid sites on the diffusion of alkenes through small‐pore zeolites
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- Journal Article
- A1
- open access
Theoretical and spectroscopic evidence of the dynamic nature of copper active sites in Cu-CHA catalysts under selective catalytic reduction (NH3–SCR–NOx) conditions
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- Journal Article
- A1
- open access
Mechanistic insight into the framework methylation of H-ZSM-5 for varying methanol loadings and Si/Al ratios using first-principles molecular dynamics simulations
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- Journal Article
- A1
- open access
Ab initio enhanced sampling kinetic study on MTO ethene methylation reaction
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- Journal Article
- A1
- open access
Cation-pi Interactions accelerate the living cationic ring-opening polymerization of unsaturated 2-alkyl-2-oxazolines
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- Journal Article
- A1
- open access
Light olefin diffusion during the MTO process on H-SAPO-34 : a complex interplay of molecular factors
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A fundamental understanding of alkene adsorption and cracking in acid zeolite catalysts through advanced molecular simulations
(2020) -
- Journal Article
- A1
- open access
Effect of zeolite topology and reactor configuration on the direct conversion of CO2 to light olefins and aromatics
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- Journal Article
- A1
- open access
How chain length and branching influence the alkene cracking reactivity on H-ZSM-5
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- Journal Article
- A1
- open access
Effect of temperature and branching on the nature and stability of alkene cracking intermediates in H-ZSM-5
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- Journal Article
- A1
- open access
On the stability and nature of adsorbed pentene in Bronsted acid zeolite H-ZSM-5 at 323 K
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Energy-efficient light olefin recovery: absorption versus cryogenic distillation
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- Conference Paper
- C3
- open access
First-principle kinetic study of butene cracking on H-ZSM-5