- ORCID iD
-
0000-0002-6735-0078
Show
Sort by
-
- Journal Article
- A1
- open access
Operando modeling of zeolite-catalyzed reactions using first-principles molecular dynamics simulations
-
- Journal Article
- A1
- open access
Universal descriptors for zeolite topology and acidity to predict the stability of butene cracking intermediates
-
- Journal Article
- A1
- open access
Acidity effect on benzene methylation kinetics over substituted H-MeAlPO-5 catalysts
-
- 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
-
- Journal Article
- A1
- open access
Coordination and activation of nitrous oxide by iron zeolites
-
- 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
-
- 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
-
- 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
-
- Journal Article
- A1
- open access
Ab initio enhanced sampling kinetic study on MTO ethene methylation reaction
-
- Journal Article
- A1
- open access
Cation-pi Interactions accelerate the living cationic ring-opening polymerization of unsaturated 2-alkyl-2-oxazolines