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First Principle study on the adsorption of hydrocarbon chains involved in fischer-tropsch synthesis over iron carbides
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Study of butanol conversion to butenes over H-ZSM-5 : effect of chemical structure on activity, selectivity and reaction pathways
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DFT-based microkinetic modeling of ethanol dehydration in H-ZSM-5
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DFT-based modeling of benzene hydrogenation on Pt at industrially relevant coverage
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Selective etherification of beta-citronellene catalyzed by zeolite beta
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Adsorption thermodynamics of C1–C4 alcohols in H–FAU, H–MOR, H–ZSM–5 and H–ZSM–22
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Periodic DFT study of benzene adsorption on Pd(100) and Pd(110) at medium and saturation coverage
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Thermodynamic study of benzene and hydrogen coadsorption on Pd(111)
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Benzene adsorption on binary Pt3M alloys and surface alloys: a DFT study
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Isobutene Protonation in H-FAU, H-MOR, H-ZSM-5, and H-ZSM-22