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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Machine learning potentials for metal-organic frameworks using an incremental learning approach by Sander Vandenhaute, Maarten Cools-Ceuppens, Simon DeKeyser, Toon Verstraelen, Veronique Van Speybroeck

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Nuclear quantum effects on zeolite proton hopping kinetics explored with machine learning potentials and path integral molecular dynamics by Massimo Bocus, Ruben Goeminne, Aran Lamaire, Maarten Cools-Ceuppens, Toon Verstraelen, Veronique Van Speybroeck

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Water motifs in zirconium metal-organic frameworks induced by nanoconfinement and hydrophilic adsorption sites by Aran Lamaire, Jelle Wieme, Sander Vandenhaute, Ruben Goeminne, Sven M. J. Rogge, Veronique Van Speybroeck

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Quasi-1D physics in metal-organic frameworks: MIL-47(V) from first principles by Danny E. P. Vanpoucke, Jan W. Jaeken, Stijn De Baerdemacker, Kurt Lejaeghere, Veronique Van Speybroeck

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Exploring the phase stability in interpenetrated diamondoid covalent organic frameworks by Sander Borgmans, Sven M. J. Rogge, Juul S. De Vos, Pascal Van Der Voort, Veronique Van Speybroeck

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Understanding the phase transition mechanism in the lead halide perovskite CsPbBr3 via theoretical and experimental GIWAXS and Raman spectroscopy by Alexander E. J. Hoffman, Rafikul Ali Saha, Sander Borgmans, Pascal Puech, Tom Braeckevelt, Maarten B. J. Roeffaers, Julian A. Steele, Johan Hofkens, Veronique Van Speybroeck

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Unraveling the Mechanisms of Zirconium Metal–Organic Frameworks‐Based Mixed‐Matrix Membranes Preventing Polysulfide Shuttling by Wenqing Lu, Zhenfeng Pang, Aran Lamaire, Fu Liu, Shan Dai, Moisés L. Pinto, Rezan Demir‐Cakan, Kong Ooi Tan, Veronique Van Speybroeck, Vanessa Pimenta, Christian Serre

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Gas adsorption and framework flexibility of CALF-20 explored via experiments and simulations by Rama Oktavian, Ruben Goeminne, Lawson T. Glasby, Ping Song, Racheal Huynh, Omid Taheri Qazvini, Omid Ghaffari-Nik, Nima Masoumifard, Joan L. Cordiner, Pierre Hovington, Veronique Van Speybroeck, Peyman Z. Moghadam

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Transitioning from Methanol to Olefins (MTO) toward a Tandem CO2 Hydrogenation Process: On the Role and Fate of Heteroatoms (Mg, Si) in MAPO-18 Zeotypes by Tomás Cordero-Lanzac, Izar Capel Berdiell, Alessia Airi, Sang-Ho Chung, Jenna L. Mancuso, Evgeniy A. Redekop, Claudia Fabris, Leidy Figueroa-Quintero, Juan C. Navarro de Miguel, Javier Narciso, Enrique V. Ramos-Fernandez, Stian Svelle, Veronique Van Speybroeck, Javier Ruiz-Martínez, Silvia Bordiga, Unni Olsbye

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An embedded interfacial network stabilizes inorganic CsPbI3 perovskite thin films by Julian A. Steele, Tom Braeckevelt, Vittal Prakasam, Giedrius Degutis, Haifeng Yuan, Handong Jin, Eduardo Solano, Pascal Puech, Shreya Basak, Maria Isabel Pintor-Monroy, Hans Van Gorp, Guillaume Fleury, Ruo Xi Yang, Zhenni Lin, Haowei Huang, Elke Debroye, Dmitry Chernyshov, Bin Chen, Mingyang Wei, Yi Hou, Robert Gehlhaar, Jan Genoe, Steven De Feyter, Sven M. J. Rogge, Aron Walsh, Edward H. Sargent, Peidong Yang, Johan Hofkens, Veronique Van Speybroeck, Maarten B. J. Roeffaers

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