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Lista de obras de Jelle Wieme

A Breathing Zirconium Metal-Organic Framework with Reversible Loss of Crystallinity by Correlated Nanodomain Formation.

artículo científico publicado en 2016

A series of sulfonic acid functionalized mixed-linker DUT-4 analogues: synthesis, gas sorption properties and catalytic performance.

artículo científico publicado en 2017

Atomistic insight in the flexibility and heat transport properties of the stimuli-responsive metal-organic framework MIL-53(Al) for water-adsorption applications using molecular simulations

artículo científico publicado en 2020

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

artículo científico publicado en 2017

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

artículo científico publicado en 2018

Exploring the Flexibility of MIL-47(V)-Type Materials Using Force Field Molecular Dynamics Simulations.

artículo científico publicado en 2016

Extension of the QuickFF force field protocol for an improved accuracy of structural, vibrational, mechanical and thermal properties of metal-organic frameworks.

artículo científico publicado en 2018

Modeling the Structural and Thermal Properties of Loaded Metal-Organic Frameworks. An Interplay of Quantum and Anharmonic Fluctuations

scientific article published on 30 April 2019

On the importance of anharmonicities and nuclear quantum effects in modelling the structural properties and thermal expansion of MOF-5

scientific article published on 01 March 2019

Protocol for Identifying Accurate Collective Variables in Enhanced Molecular Dynamics Simulations for the Description of Structural Transformations in Flexible Metal-Organic Frameworks

artículo científico publicado en 2018

Thermal Engineering of Metal-Organic Frameworks for Adsorption Applications: A Molecular Simulation Perspective

scientific article published on 09 October 2019

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

artículo científico publicado en 2016

Thermodynamic insight into stimuli-responsive behaviour of soft porous crystals.

artículo científico publicado en 2018

Tuning the balance between dispersion and entropy to design temperature-responsive flexible metal-organic frameworks

scientific article published in Nature Communications

Unravelling thermal stress due to thermal expansion mismatch in metal–organic frameworks for methane storage

artículo científico publicado en 2021

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