Homochiral Metal–Organic Frameworks for Enantioselective Separations in Liquid Chromatography von Corella-Ochoa, M. Nieves, Tapia, Jesús B, Rubin, Heather N, Lillo, Vanesa, González-Cobos, Jesús, Núñez-Rico, José Luis, Balestra, Salvador R.G, Almora-Barrios, Neyvis, Lledós, Marina, Güell-Bara, Arnau, Cabezas-Giménez, Juanjo, Escudero-Adán, Eduardo C, Vidal-Ferran, Anton, Calero, Sofía, Reynolds, Melissa, Martí-Gastaldo, Carlos, Galán-Mascarós, José Ramón

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Temperature-Dependent Chirality in Halide Perovskites von Pols, Mike, Brocks, Geert, Calero, Sofía, Tao, Shuxia

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What Happens at Surfaces and Grain Boundaries of Halide Perovskites: Insights from Reactive Molecular Dynamics Simulations of CsPbI3 von Pols, Mike, Hilpert, Tobias, Filot, Ivo A.W., van Duin, Adri C.T., Calero, Sofía, Tao, Shuxia

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Adsorption and Diffusion of Benzene in Mg-MOF-74 with Open Metal Sites von Liu, Anqi, Peng, Xuan, Jin, Qibing, Jain, Surendra Kumar, Vicent-Luna, Jose Manuel, Calero, Sofía, Zhao, Dongfeng

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Mixing I and Br in Inorganic Perovskites: Atomistic Insights from Reactive Molecular Dynamics Simulations von Pols, Mike, van Duin, Adri C. T., Calero, Sofía, Tao, Shuxia

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Graph Neural Networks for Carbon Dioxide Adsorption Prediction in Aluminum-Substituted Zeolites von Petković, Marko, Vicent-Luna, José Manuel, Menkovski, Vlado, Calero, Sofía

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Understanding Water Adsorption in Cu−BTC Metal−Organic Frameworks von Castillo, Juan Manuel, Vlugt, Thijs J. H, Calero, Sofía

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Effect of Room-Temperature Ionic Liquids on CO2 Separation by a Cu-BTC Metal–Organic Framework von Vicent-Luna, José Manuel, Gutiérrez-Sevillano, Juan José, Anta, Juan Antonio, Calero, Sofía

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Molecular Mechanisms for Adsorption in Cu-BTC Metal Organic Framework von Gutiérrez-Sevillano, Juan José, Vicent-Luna, José Manuel, Dubbeldam, David, Calero, Sofía

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Computer-Assisted Screening of Ordered Crystalline Nanoporous Adsorbents for Separation of Alkane Isomers von Dubbeldam, David, Krishna, Rajamani, Calero, Sofía, Yazaydın, Ahmet Özgür

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The Impact of Metal Centers in the M‑MOF-74 Series on Formic Acid Production von Wasik, Dominika O., Vicent-Luna, José Manuel, Rezaie, Shima, Luna-Triguero, Azahara, Vlugt, Thijs J. H., Calero, Sofía

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Impact of Small Adsorbates in the Vibrational Spectra of Mg- and Zn-MOF-74 Revealed by First-Principles Calculations von Romero-Muñiz, Carlos, Gavira-Vallejo, José María, Merkling, Patrick J, Calero, Sofía

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Revisiting Vibrational Spectroscopy to Tackle the Chemistry of Zr6O8 Metal-Organic Framework Nodes von Romero-Muñiz, Ignacio, Romero-Muñiz, Carlos, del Castillo-Velilla, Isabel, Marini, Carlo, Calero, Sofía, Zamora, Félix, Platero-Prats, Ana E.

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TAMOF‑1 as a Versatile and Predictable Chiral Stationary Phase for the Resolution of Racemic Mixtures von Núñez-Rico, José Luis, Cabezas-Giménez, Juanjo, Lillo, Vanesa, Balestra, Salvador R. G., Galán-Mascarós, José Ramón, Calero, Sofía, Vidal-Ferran, Anton

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Adsorption of Linear Alcohols in Amorphous Activated Carbons: Implications for Energy Storage Applications von Madero-Castro, Rafael M., Vicent-Luna, José Manuel, Peng, Xuan, Calero, Sofía

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Gate-Opening Mechanism of Hydrophilic–Hydrophobic Metal–Organic Frameworks: Molecular Simulations and Quasi-Equilibrated Desorption von Sławek, Andrzej, Vicent-Luna, José Manuel, Marszałek, Bartosz, Gil, Barbara, Morris, Russell E, Makowski, Wacław, Calero, Sofía

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Adsorption of Alkanes in Zeolites LTA and FAU: Quasi-Equilibrated Thermodesorption Supported by Molecular Simulations von Sławek, Andrzej, Vicent-Luna, José Manuel, Ogorzały, Karolina, Valencia, Susana, Rey, Fernando, Makowski, Wacław, Calero, Sofía

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Transferable Force Field for Carbon Dioxide Adsorption in Zeolites von García-Sánchez, Almudena, Ania, Conchi O, Parra, José B, Dubbeldam, David, Vlugt, Thijs J. H, Krishna, Rajamani, Calero, Sofía

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Separation of Volatile Organic Compounds in TAMOF‑1 von González-Galán, Carmen, de Fez-Febré, Mabel, Giancola, Stefano, González-Cobos, Jesús, Vidal-Ferran, Anton, Galán-Mascarós, José Ramón, Balestra, Salvador R. G., Calero, Sofía

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Identification of Adsorption Sites in Cu-BTC by Experimentation and Molecular Simulation von García-Pérez, Elena, Gascón, Jorge, Morales-Flórez, Víctor, Castillo, Juan Manuel, Kapteijn, Freek, Calero, Sofía

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