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Operando modeling of zeolite-catalyzed reactions using first-principles molecular dynamics simulations
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- Journal Article
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Towards molecular control of elementary reactions in zeolite catalysis by advanced molecular simulations mimicking operating conditions
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How zeolitic acid strength and composition alter the reactivity of alkenes and aromatics towards methanol
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Mechanistic studies on chabazite-type methanol-to-olefin catalysts: insights from time-resolved UV/Vis microspectroscopy combined with theoretical simulations
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Enthalpy and entropy barriers explain the effects of topology on the kinetics of zeolite-catalyzed reactions
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- Journal Article
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- open access
Assembly of cyclic hydrocarbons from ethene and propene in acid zeolite catalysis to produce active catalytic sites for MTO conversion