Reliably Modeling the Mechanical Stability of Rigid and Flexible Metal–Organic Frameworks

por Rogge, Sven M. J., Waroquier, Michel, Van Speybroeck, Veronique
Publicado 2017

Unraveling the thermodynamic criteria for size-dependent spontaneous phase separation in soft porous crystals

por Rogge, Sven M. J., Waroquier, Michel, Van Speybroeck, Veronique
Publicado 2019

Large-Scale Molecular Dynamics Simulations Reveal New Insights Into the Phase Transition Mechanisms in MIL-53(Al)

por Vandenhaute, Sander, Rogge , Sven M. J., Van Speybroeck, Veronique
Publicado 2021

Perspectives on the Influence of Crystal Size and Morphology on the Properties of Porous Framework Materials

por Hobday, Claire L., Krause, Simon, Rogge, Sven M. J., Evans, Jack D., Bunzen, Hana
Publicado 2021

Editorial: The Influence of Crystal Size and Morphology on Framework Materials

por Hobday, Claire L., Krause, Simon, Rogge, Sven M. J., Evans, Jack D., Bunzen, Hana
Publicado 2022

Efficient Construction of Free Energy Profiles of Breathing Metal–Organic Frameworks Using Advanced Molecular Dynamics Simulations

por Demuynck, Ruben, Rogge, Sven M. J., Vanduyfhuys, Louis, Wieme, Jelle, Waroquier, Michel, Van Speybroeck, Veronique
Publicado 2017

Exploring the phase stability in interpenetrated diamondoid covalent organic frameworks

por Borgmans, Sander, Rogge, Sven M. J., De Vos, Juul S., Van Der Voort, Pascal, Van Speybroeck, Veronique
Publicado 2023

Acidity Constant (pK (a)) Calculation of Large Solvated Dye Molecules: Evaluation of Two Advanced Molecular Dynamics Methods

por De Meyer, Thierry, Ensing, Bernd, Rogge, Sven M. J., De Clerck, Karen, Meijer, Evert Jan, Van Speybroeck, Veronique
Publicado 2016

Influence of a Confined Methanol Solvent on the Reactivity of Active Sites in UiO‐66

por Caratelli, Chiara, Hajek, Julianna, Rogge, Sven M. J., Vandenbrande, Steven, Meijer, Evert Jan, Waroquier, Michel, Van Speybroeck, Veronique
Publicado 2018

Protocol for Identifying Accurate Collective Variables in Enhanced Molecular Dynamics Simulations for the Description of Structural Transformations in Flexible Metal–Organic Framew...

por Demuynck, Ruben, Wieme, Jelle, Rogge, Sven M. J., Dedecker, Karen D., Vanduyfhuys, Louis, Waroquier, Michel, Van Speybroeck, Veronique
Publicado 2018

Interfacial study of clathrates confined in reversed silica pores

por Mileo, Paulo G. M., Rogge, Sven M. J., Houlleberghs, Maarten, Breynaert, Eric, Martens, Johan A., Van Speybroeck, Veronique
Publicado 2021

Thermodynamic Insight in the High-Pressure Behavior of UiO-66: Effect of Linker Defects and Linker Expansion

por Rogge, Sven M. J., Wieme, Jelle, Vanduyfhuys, Louis, Vandenbrande, Steven, Maurin, Guillaume, Verstraelen, Toon, Waroquier, Michel, Van Speybroeck, Veronique
Publicado 2016

Quantifying the Likelihood of Structural Models through a Dynamically Enhanced Powder X‐Ray Diffraction Protocol

por Borgmans, Sander, Rogge, Sven M. J., De Vos, Juul S., Stevens, Christian V., Van Der Voort, Pascal, Van Speybroeck, Veronique
Publicado 2021

Elucidating the Vibrational Fingerprint of the Flexible Metal–Organic Framework MIL-53(Al) Using a Combined Experimental/Computational Approach

por Hoffman, Alexander E. J., Vanduyfhuys, Louis, Nevjestić, Irena, Wieme, Jelle, Rogge, Sven M. J., Depauw, Hannes, Van Der Voort, Pascal, Vrielinck, Henk, Van Speybroeck, Veronique
Publicado 2018

Charting the Metal-Dependent High-Pressure Stability of Bimetallic UiO-66 Materials

por Rogge, Sven M. J., Yot, Pascal G., Jacobsen, Jannick, Muniz-Miranda, Francesco, Vandenbrande, Steven, Gosch, Jonas, Ortiz, Vanessa, Collings, Ines E., Devautour-Vinot, Sabine, Maurin, Guillaume, Stock, Norbert, Van Speybroeck, Veronique
Publicado 2020

Strongly Reducing (Diarylamino)benzene-Based Covalent Organic Framework for Metal-Free Visible Light Photocatalytic H(2)O(2) Generation

por Krishnaraj, Chidharth, Sekhar Jena, Himanshu, Bourda, Laurens, Laemont, Andreas, Pachfule, Pradip, Roeser, Jérôme, Chandran, C. Vinod, Borgmans, Sander, Rogge, Sven M. J., Leus, Karen, Stevens, Christian V., Martens, Johan A., Van Speybroeck, Veronique, Breynaert, Eric, Thomas, Arne, Van Der Voort, Pascal
Publicado 2020

An embedded interfacial network stabilizes inorganic CsPbI(3) perovskite thin films

por Steele, Julian A., Braeckevelt, Tom, Prakasam, Vittal, Degutis, Giedrius, Yuan, Haifeng, Jin, Handong, Solano, Eduardo, Puech, Pascal, Basak, Shreya, Pintor-Monroy, Maria Isabel, Van Gorp, Hans, Fleury, Guillaume, Yang, Ruo Xi, Lin, Zhenni, Huang, Haowei, Debroye, Elke, Chernyshov, Dmitry, Chen, Bin, Wei, Mingyang, Hou, Yi, Gehlhaar, Robert, Genoe, Jan, De Feyter, Steven, Rogge, Sven M. J., Walsh, Aron, Sargent, Edward H., Yang, Peidong, Hofkens, Johan, Van Speybroeck, Veronique, Roeffaers, Maarten B. J.
Publicado 2022