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Universal descriptors for zeolite topology and acidity to predict the stability of butene cracking intermediates
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Dynamic interplay between defective UiO‐66 and protic solvents in activated processes
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A supramolecular view on the cooperative role of Brønsted and Lewis acid sites in zeolites for methanol conversion
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Influence of a confined methanol solvent on the reactivity of active sites in UiO-66
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How chain length and branching influence the alkene cracking reactivity on H-ZSM-5
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Effect of temperature and branching on the nature and stability of alkene cracking intermediates in H-ZSM-5
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The remarkable amphoteric nature of defective UiO-66 in catalytic reactions
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Water coordination and dehydration processes in defective UiO-66 type metal organic frameworks
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On the stability and nature of adsorbed pentene in Bronsted acid zeolite H-ZSM-5 at 323 K
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Mechanistic studies of aldol condensations in UiO-66 and UiO-66-NH2 metal organic frameworks
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Metal-dioxidoterephthalate MOFs of the MOF-74 type: microporous basic catalysts with well-defined active sites
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Catalytic performance of vanadium MIL-47 and linker-substituted variants in the oxidation of cyclohexene: a combined theoretical and experimental approach
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New V-IV-based metal-organic framework having framework flexibility and high CO₂ adsorption capacity
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Insight in the activity and diastereoselectivity of various Lewis acid catalysts for the citronellal cyclization
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Efficient approach for the computational study of alcohol and nitrile adsorption in H-ZSM-5
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Synthesis, characterization and sorption properties of NH₂-MIL-47
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Assessment of periodic and cluster-in-vacuo models for first principles calculation of EPR parameters of paramagnetic defects in crystals: Rh2+ defects in NaCl as case study
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Normal mode analysis in zeolites: toward an efficient calculation of adsorption entropies
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Cluster or periodic, static or dynamic: the challenge of calculating the g tensor of the solid-state glycine radical