26 research outputs found
Efficient Approach for the Computational Study of Alcohol and Nitrile Adsorption in H-ZSM-5
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Adsorption and Tautomerization Reaction of Acetone on Acidic Zeolites: The Confinement Effect in Different Types of Zeolites
No full textSkeletal Isomerization of 1-Butene over Ferrierite Zeolite: A Quantum Chemical Analysis of Structures and Reaction Mechanisms
No full textRole of Keto–Enol Isomerization on Surface Chemistry and Hydrogenation of Acetone on Pt(111): A DFT study
No full textDensity Functional Theory Study of the Carbonyl-ene Reaction of Encapsulated Formaldehyde in Cu(I), Ag(I), and Au(I) Exchanged FAU Zeolites
No full textTheoretical Investigation of the Effects of the Zeolite Framework on the Stability of Carbenium Ions
No full textHydration of Carbon Dioxide in Copper-Alkoxide Functionalized Metal–Organic Frameworks: A DFT Study
No full textDensity Functional Theory Study of Mixed Aldol Condensation Catalyzed by Acidic Zeolites HZSM-5 and HY
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