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Search Results - Demuynck, Ruben
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Efficient Construction of Free Energy Profiles of Breathing Metal–Organic Frameworks Using Advanced Molecular Dynamics Simulations
by
Demuynck, Ruben
,
Rogge, Sven M. J
,
Vanduyfhuys, Louis
,
Wieme, Jelle
,
Waroquier, Michel
,
Van Speybroeck, Veronique
Published in
Journal of chemical theory and computation
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The Importance of Cell Shape Sampling To Accurately Predict Flexibility in Metal–Organic Frameworks
by
Rogge, Sven M. J
,
Caroes, Senne
,
Demuynck, Ruben
,
Waroquier, Michel
,
Van Speybroeck, Veronique
,
Ghysels, An
Published in
Journal of chemical theory and computation
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Modeling Gas Adsorption in Flexible Metal–Organic Frameworks via Hybrid Monte Carlo/Molecular Dynamics Schemes
by
Rogge, Sven M. J.
,
Goeminne, Ruben
,
Demuynck, Ruben
,
Gutiérrez‐Sevillano, Juan José
,
Vandenbrande, Steven
,
Vanduyfhuys, Louis
,
Waroquier, Michel
,
Verstraelen, Toon
,
Van Speybroeck, Veronique
Published in
Advanced theory and simulations
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Light Olefin Diffusion during the MTO Process on H‑SAPO-34: A Complex Interplay of Molecular Factors
by
Cnudde, Pieter
,
Demuynck, Ruben
,
Vandenbrande, Steven
,
Waroquier, Michel
,
Sastre, German
,
Speybroeck, Veronique Van
Published in
Journal of the American Chemical Society
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How Chain Length and Branching Influence the Alkene Cracking Reactivity on H‑ZSM‑5
by
Cnudde, Pieter
,
De Wispelaere, Kristof
,
Vanduyfhuys, Louis
,
Demuynck, Ruben
,
Van der Mynsbrugge, Jeroen
,
Waroquier, Michel
,
Van Speybroeck, Veronique
Published in
ACS catalysis
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On the intrinsic dynamic nature of the rigid UiO-66 metal-organic framework
by
Hajek, Julianna
,
Caratelli, Chiara
,
Demuynck, Ruben
,
De Wispelaere, Kristof
,
Vanduyfhuys, Louis
,
Waroquier, Michel
,
Van Speybroeck, Veronique
Published in
Chemical science (Cambridge)
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Protocol for Identifying Accurate Collective Variables in Enhanced Molecular Dynamics Simulations for the Description of Structural Transformations in Flexible Metal–Organic Framew...
by
Demuynck, Ruben
,
Wieme, Jelle
,
Rogge, Sven M. J
,
Dedecker, Karen D
,
Vanduyfhuys, Louis
,
Waroquier, Michel
,
Van Speybroeck, Veronique
Published in
Journal of chemical theory and computation
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On the intrinsic dynamic nature of the rigid UiO-66 metal-organic frameworkElectronic supplementary information (ESI) available. See DOI: 10.1039/c7sc04947a
by
Hajek, Julianna
,
Caratelli, Chiara
,
Demuynck, Ruben
,
De Wispelaere, Kristof
,
Vanduyfhuys, Louis
,
Waroquier, Michel
,
Van Speybroeck, Veronique
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On the intrinsic dynamic nature of the rigid UiO-66 metal–organic framework† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7sc04947a
by
Hajek, Julianna
,
Caratelli, Chiara
,
Demuynck, Ruben
,
De Wispelaere, Kristof
,
Vanduyfhuys, Louis
,
Waroquier, Michel
,
Van Speybroeck, Veronique
Published in
Chemical science (Cambridge)
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Surgical Phase Duration in Robot-Assisted Partial Nephrectomy: A Surgical Data Science Exploration for Clinical Relevance
by
De Backer, Pieter
,
Peraire Lores, Maria
,
Demuynck, Meret
,
Piramide, Federico
,
Simoens, Jente
,
Oosterlinck, Tim
,
Bogaert, Wouter
,
Shan, Chi Victor
,
Van Regemorter, Karel
,
Wastyn, Aube
,
Checcucci, Enrico
,
Debbaut, Charlotte
,
Van Praet, Charles
,
Farinha, Rui
,
De Groote, Ruben
,
Gallagher, Anthony
,
Decaestecker, Karel
,
Mottrie, Alexandre
Published in
Diagnostics (Basel)
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