Michel Waroquier
work address
Technologiepark Zwijn. 903
9052 Zwijnaarde
9052 Zwijnaarde
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- 2014
- Au@UiO-66: a base free oxidation catalyst
- Extended Hirshfeld: atomic charges that combine accurate electrostatics with transferability
- Solved?: the reductive radiation chemistry of alanine
- Determining the storage, availability and reactivity of NH3 within Cu-Chabazite-based Ammonia Selective Catalytic Reduction systems
- Exploring the vibrational fingerprint of the electronic excitation energy via molecular dynamics
- Reactivity of CO on carbon-covered cobalt surfaces in Fischer-Tropsch synthesis
- Reactivity of aziridinium salts in different solvents unraveled by a combined theoretical and experimental approach
- Vanadium metal-organic frameworks: structures and applications
- Base catalytic activity of alkaline earth MOFs: a (micro)spectroscopic study of active site formation by the controlled transformation of structural anions
- Catalytic performance of vanadium MIL-47 and linker-substituted variants in the oxidation of cyclohexene: a combined theoretical and experimental approach
- Metal-dioxidoterephthalate MOFs of the MOF-74 type: microporous basic catalysts with well-defined active sites
- Modeling aldol condensations in UiO-66 type materials
- Active site engineering of Metal-Organic-Frameworks guided by molecular modeling
- First principle chemical kinetics in zeolites: the methanol-to-olefin process as a case study
- Nucleophile-dependent regio- and stereoselective ring opening of 1-azoniabicyclo[3.1.0]hexane tosylate