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Faraday Discussions
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October 26, 2020
The micromechanical model to computationally investigate cooperative and correlated phenomena in metal-organic frameworks
Sven M J Rogge
ACS Physical Chemistry Au
|
March 30, 2026
Challenges and Best Practices in Modeling Anisotropic Stresses in Soft Polymorphic Materials
Jelto Neirynck, Sander Geerinckx, Sven M J Rogge
Accounts of Chemical Research
|
November 21, 2017
Reliably Modeling the Mechanical Stability of Rigid and Flexible Metal-Organic Frameworks
Sven M J Rogge, Michel Waroquier, Veronique Van Speybroeck
Frontiers in Chemistry
|
September 13, 2021
Large-Scale Molecular Dynamics Simulations Reveal New Insights Into the Phase Transition Mechanisms in MIL-53(Al)
Sander Vandenhaute, Sven M J Rogge, Veronique Van Speybroeck
Nature Communications
|
October 26, 2019
Unraveling the thermodynamic criteria for size-dependent spontaneous phase separation in soft porous crystals
Sven M J Rogge, Michel Waroquier, Veronique Van Speybroeck
Journal of Chemical Theory and Computation
|
December 12, 2023
OGRe: Optimal Grid Refinement Protocol for Accurate Free Energy Surfaces and Its Application in Proton Hopping in Zeolites and 2D COF Stacking
Sander Borgmans, Sven M J Rogge, Louis Vanduyfhuys, et al.
The Journal of Chemical Physics
|
March 10, 2019
On the importance of anharmonicities and nuclear quantum effects in modelling the structural properties and thermal expansion of MOF-5
Aran Lamaire, Jelle Wieme, Sven M J Rogge, et al.
Frontiers in Chemistry
|
December 3, 2021
Perspectives on the Influence of Crystal Size and Morphology on the Properties of Porous Framework Materials
Claire L Hobday, Simon Krause, Sven M J Rogge, et al.
Journal of Chemical Theory and Computation
|
February 15, 2018
The Importance of Cell Shape Sampling To Accurately Predict Flexibility in Metal-Organic Frameworks
Sven M J Rogge, Senne Caroes, Ruben Demuynck, et al.
Nature Communications
|
November 18, 2024
Water motifs in zirconium metal-organic frameworks induced by nanoconfinement and hydrophilic adsorption sites
Aran Lamaire, Jelle Wieme, Sander Vandenhaute, et al.
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of 3
Search research articles
Search
Showing results (1-10 of 29) with videos related to
Sort By:
Page
of 3
Faraday Discussions
|
October 26, 2020
The micromechanical model to computationally investigate cooperative and correlated phenomena in metal-organic frameworks
Sven M J Rogge
ACS Physical Chemistry Au
|
March 30, 2026
Challenges and Best Practices in Modeling Anisotropic Stresses in Soft Polymorphic Materials
Jelto Neirynck, Sander Geerinckx, Sven M J Rogge
Accounts of Chemical Research
|
November 21, 2017
Reliably Modeling the Mechanical Stability of Rigid and Flexible Metal-Organic Frameworks
Sven M J Rogge, Michel Waroquier, Veronique Van Speybroeck
Frontiers in Chemistry
|
September 13, 2021
Large-Scale Molecular Dynamics Simulations Reveal New Insights Into the Phase Transition Mechanisms in MIL-53(Al)
Sander Vandenhaute, Sven M J Rogge, Veronique Van Speybroeck
Nature Communications
|
October 26, 2019
Unraveling the thermodynamic criteria for size-dependent spontaneous phase separation in soft porous crystals
Sven M J Rogge, Michel Waroquier, Veronique Van Speybroeck
Journal of Chemical Theory and Computation
|
December 12, 2023
OGRe: Optimal Grid Refinement Protocol for Accurate Free Energy Surfaces and Its Application in Proton Hopping in Zeolites and 2D COF Stacking
Sander Borgmans, Sven M J Rogge, Louis Vanduyfhuys, et al.
The Journal of Chemical Physics
|
March 10, 2019
On the importance of anharmonicities and nuclear quantum effects in modelling the structural properties and thermal expansion of MOF-5
Aran Lamaire, Jelle Wieme, Sven M J Rogge, et al.
Frontiers in Chemistry
|
December 3, 2021
Perspectives on the Influence of Crystal Size and Morphology on the Properties of Porous Framework Materials
Claire L Hobday, Simon Krause, Sven M J Rogge, et al.
Journal of Chemical Theory and Computation
|
February 15, 2018
The Importance of Cell Shape Sampling To Accurately Predict Flexibility in Metal-Organic Frameworks
Sven M J Rogge, Senne Caroes, Ruben Demuynck, et al.
Nature Communications
|
November 18, 2024
Water motifs in zirconium metal-organic frameworks induced by nanoconfinement and hydrophilic adsorption sites
Aran Lamaire, Jelle Wieme, Sander Vandenhaute, et al.
Page
of 3