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Naji, M. |
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Motta, Antonella |
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Aletan, Dirar |
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Mohamed, Tarek |
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Ertürk, Emre |
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Taccardi, Nicola |
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Kononenko, Denys |
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Petrov, R. H. | Madrid |
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Alshaaer, Mazen | Brussels |
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Bih, L. |
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Casati, R. |
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Muller, Hermance |
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Kočí, Jan | Prague |
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Šuljagić, Marija |
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Kalteremidou, Kalliopi-Artemi | Brussels |
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Azam, Siraj |
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Ospanova, Alyiya |
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Blanpain, Bart |
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Ali, M. A. |
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Popa, V. |
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Rančić, M. |
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Ollier, Nadège |
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Azevedo, Nuno Monteiro |
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Landes, Michael |
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Rignanese, Gian-Marco |
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Coudert, François-Xavier
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (40/40 displayed)
- 2024Machine learning interatomic potentials for amorphous zeolitic imidazolate frameworkscitations
- 2024Challenges and Opportunities of Molecular Simulations for Negative Gas Adsorptioncitations
- 2024Multiscale Modeling of Physical Properties of Nanoporous Frameworks: Predicting Mechanical, Thermal, and Adsorption Behaviorcitations
- 2023Alchemical Osmostat for Monte Carlo Simulation: Sampling Aqueous Electrolyte Solution in Open Systemscitations
- 2023Computation of Finite Temperature Mechanical Properties of Zeolitic Imidazolate Framework Glasses by Molecular Dynamicscitations
- 2022High-throughput computational screening of nanoporous materials in targeted applicationscitations
- 2022High-throughput computational screening of nanoporous materials in targeted applicationscitations
- 2022Challenges in Molecular Dynamics of Amorphous ZIFs Using Reactive Force Fieldscitations
- 2022Chiral Lanthanum Metal–Organic Framework with Gated CO2 Sorption and Concerted Framework Flexibilitycitations
- 2022How reproducible are surface areas calculated from the BET equation?citations
- 2022How Reproducible are Surface Areas Calculated from the BET Equation?citations
- 2021Melting of hybrid organic–inorganic perovskitescitations
- 2021Open questions on water confined in nanoporous materialscitations
- 2021Transient Catenation in a Zirconium-Based Metal–Organic Framework and Its Effect on Mechanical Stability and Sorption Propertiescitations
- 2021How Reproducible Are Surface Areas Calculated from the BET Equation?citations
- 2021Melting of hybrid organic-inorganic perovskites.
- 2020Water Adsorption in Soft and Heterogeneous Nanoporescitations
- 2020Isolating the Role of the Node-Linker Bond in the Compression of UiO-66 Metal–Organic Frameworkscitations
- 2019Metal-organic framework crystal-glass composites.
- 2019Rich Polymorphism of a Metal-Organic Framework in Pressure-Temperature Space.
- 2019Metal-organic framework crystal-glass compositescitations
- 2019Metal-organic framework crystal-glass compositescitations
- 2018On the use of the IAST method for gas separation studies in porous materials with gate-opening behaviorcitations
- 2018Conformational chiral polymorphism in cis-bis-triphenylphosphine complexes of transition metalscitations
- 2018Structure and Dynamics of Water Confined in Imogolite Nanotubescitations
- 2018Adsorption Contraction Mechanics: Understanding Breathing Energetics in Isoreticular Metal–Organic Frameworkscitations
- 2017Recent advances in the computational chemistry of soft porous crystalscitations
- 2017Macroscopic Simulation of Deformation in Soft Microporous Compositescitations
- 2017Predicting the Mechanical Properties of Zeolite Frameworks by Machine Learningcitations
- 2016Computational Chemistry Methods for Nanoporous Materialscitations
- 2015Responsive Metal–Organic Frameworks and Framework Materials: Under Pressure, Taking the Heat, in the Spotlight, with Friendscitations
- 2014Remarkable Pressure Responses of Metal–Organic Frameworks: Proton Transfer and Linker Coiling in Zinc Alkyl Gatescitations
- 2014A thermodynamic description of the adsorption-induced structural transitions in flexible MIL-53 metal-organic frameworkcitations
- 2014Correlated defect nanoregions in a metal–organic frameworkcitations
- 2014Challenges in first-principles NPT molecular dynamics of soft porous crystals: A case study on MIL-53(Ga)citations
- 2013Investigating the Pressure-Induced Amorphization of Zeolitic Imidazolate Framework ZIF-8: Mechanical Instability Due to Shear Mode Softeningcitations
- 2013Investigation of structure and dynamics of the hydrated metal–organic framework MIL-53(Cr) using first-principles molecular dynamicscitations
- 2013Adsorption induced transitions in soft porous crystals: An osmotic potential approach to multistability and intermediate structurescitations
- 2011Thermodynamic Methods and Models to Study Flexible Metal-Organic Frameworkscitations
- 2009Prediction of Breathing and Gate-Opening Transitions Upon Binary Mixture Adsorption in Metal−Organic Frameworkscitations
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