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Ab initio molecular dynamics for ethanol asorption in H-ZSM-5
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The role of CO2 in the dehydrogenation of propane over WOx-VOx/SiO2
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Role of anharmonicity in the confinement effect in zeolites: structure, spectroscopy, and adsorption free energy of ethanol in H-ZSM-5
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DFT-based microkinetic modeling of ethanol dehydration in H-ZSM-5
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First principles kinetic study on the effect of zeolite framework on 1-butanol dehydration
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Anharmonicity and confinement in zeolites: structure, spectroscopy, and adsorption free energy of ethanol in H-ZSM-5
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Insights into the reaction mechanism of ethanol conversion into hydrocarbons on H-ZSM-5
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DFT investigation into alumina ALD growth inhibition on hydroxylated amorphous silica surface
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Acidity of H-ZSM-5 and H-FAU as a function of Si/Al ratio
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Microkinetics for toluene total oxidation over CuO–CeO2/Al2O3