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- 2015
- Active site engineering in UiO-66 type metal-organic frameworks by intentional creation of defects: a theoretical rationalization
- 2012
- Mechanistic insight into the cyclohexene epoxidation with VO(acac)₂ and tert-butyl hydroperoxide
- 2011
- Catalytic and molecular separation properties of Zeogrids and Zeotiles
- 2010
- First principle kinetic studies of zeolite-catalyzed methylation reactions: towards kinetic accuracy for rate constants
- 2009
- Theoretical evaluation of zeolite confinement effects on the reactivity of bulky intermediates
- Theoretical insights on methylbenzene side-chain growth in ZSM-5 zeolites for methanol-to-olefin conversion