Mobility and Reactivity of Cu+ Species in Cu-CHA Catalysts under NH3‑SCR-NOx Reaction Conditions: Insights from AIMD Simulations by Reisel Millan, Pieter Cnudde, Veronique van Speybroeck, Mercedes Boronat

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Combined Spectroscopic and Computational Study of Nitrobenzene Activation on Non-Noble Metals-Based Mono- and Bimetallic Catalysts by Reisel Millán, María Dolores Soriano, Cristina Cerdá Moreno, Mercedes Boronat, Patricia Concepción

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Effect of Framework Composition and NH3 on the Diffusion of Cu+ in Cu-CHA Catalysts Predicted by Machine-Learning Accelerated Molecular Dynamics by Reisel Millan, Estefanía Bello-Jurado, Manuel Moliner, Mercedes Boronat, Rafael Gomez-Bombarelli

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Approaching enzymatic catalysis with zeolites or how to select one reaction mechanism competing with others by Pau Ferri, Chengeng Li, Daniel Schwalbe-Koda, Mingrou Xie, Manuel Moliner, Rafael Gómez-Bombarelli, Mercedes Boronat, Avelino Corma

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Ag2(0) dimers within a thioether-functionalized MOF catalyze the CO2 to CH4 hydrogenation reaction by Yongkun Zheng, Nuria Martín, Mercedes Boronat, Jesús Ferrando-Soria, Marta Mon, Donatella Armentano, Emilio Pardo, Antonio Leyva-Pérez

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