François-Xavier Coudert

Papers authored by François-Xavier Coudert

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2013 Aurélie U. Ortiz, A. Boutin, Alain H. Fuchs, François-Xavier Coudert

Metal–organic frameworks with wine-rack motif: What determines their flexibility and elastic properties?

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Volker Haigis, François-Xavier Coudert

, Rodolphe Vuilleumier, Anne Boutin

Investigation of structure and dynamics of the hydrated metal–organic framework MIL-53(Cr) using first-principles molecular dynamics

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2012 Anne Boutin, Aurélie U. Ortiz, Alain H. Fuchs, François-Xavier Coudert

Anisotropic Elastic Properties of Flexible Metal-Organic Frameworks: How Soft are Soft Porous Crystals?

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Marta De Toni, Marta De Toni, Romain Jonchiere, Pluton Pullumbi, François-Xavier Coudert

, Alain H. Fuchs

How Can a Hydrophobic MOF be Water-Unstable? Insight into the Hydration Mechanism of IRMOFs

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Marta De Toni, François-Xavier Coudert

, Selvarengan Paranthaman, Pluton Pullumbi, Anne Boutin, Alain H. Fuchs

Molecular Simulation of a Zn–Triazamacrocyle Metal–Organic Frameworks Family with Extraframework Anions

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François-Xavier Coudert

, Carles Triguero, Anne Boutin, Alain H. Fuchs, Alexander V. Neimark

Understanding adsorption-induced structural transitions in metal-organic frameworks: From the unit cell to the crystal

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D. Bousquet, F.-X. Coudert

, A. Boutin

Free energy landscapes for the thermodynamic understanding of adsorption-induced deformations and structural transitions in porous materials

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2011 Aurélie U. Ortiz, Marie-Anne Springuel-Huet, François-Xavier Coudert

, Alain H. Fuchs, Anne Boutin

Predicting Mixture Coadsorption in Soft Porous Crystals: Experimental and Theoretical Study of CO2/CH4 in MIL-53(Al)

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Carles Triguero, François-Xavier Coudert

, Anne Boutin, Alain H. Fuchs, Alexander V. Neimark

Mechanism of Breathing Transitions in Metal–Organic Frameworks

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François-Xavier Coudert

Thermodynamic Methods for Prediction of Gas Separation in Flexible Frameworks

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Alexander V. Neimark, François-Xavier Coudert

, Carles Triguero, Anne Boutin, Alain H. Fuchs, Isabelle Beurroies, Renaud Denoyel

Structural Transitions in MIL-53 (Cr): View from Outside and Inside

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Anne Boutin, Sarah Couck, François-Xavier Coudert

, Pablo Serra-Crespo, Jorge Gascon, Freek Kapteijn, Alain H. Fuchs, Joeri F. M. Denayer

Thermodynamic analysis of the breathing of amino-functionalized MIL-53(Al) upon CO2 adsorption

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François-Xavier Coudert

, Anne Boutin, Marie Jeffroy, Caroline Mellot-Draznieks, Alain H. Fuchs

Thermodynamic Methods and Models to Study Flexible Metal-Organic Frameworks

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2010 Anne Boutin, François-Xavier Coudert

, Marie-Anne Springuel-Huet, Alexander V. Neimark, Gérard Férey, Alain H. Fuchs

The Behavior of Flexible MIL-53(Al) upon CH4 and CO2 Adsorption

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Marta De Toni, Marta De Toni, Pluton Pullumbi, François-Xavier Coudert

, Alain H. Fuchs

Understanding the Effect of Confinement on the Liquid−Gas Transition: A Study of Adsorption Isotherms in a Family of Metal−Organic Frameworks

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François-Xavier Coudert

The osmotic framework adsorbed solution theory: Predicting mixture coadsorption in flexible nanoporous materials

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Selvarengan Paranthaman, François-Xavier Coudert

, Alain H. Fuchs

Water adsorption in hydrophobic MOF channels

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2009 Neimark Alexander, Alexander V. Neimark, François-Xavier Coudert

, Anne Boutin, Alain H. Fuchs

Stress-Based Model for the Breathing of Metal−Organic Frameworks

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François-Xavier Coudert

, Caroline Mellot-Draznieks, Alain H. Fuchs, Anne Boutin

Prediction of Breathing and Gate-Opening Transitions Upon Binary Mixture Adsorption in Metal−Organic Frameworks

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François-Xavier Coudert

, Caroline Mellot-Draznieks, Alain H. Fuchs, Boutin Anne

Double Structural Transition in Hybrid Material MIL-53 upon Hydrocarbon Adsorption: The Thermodynamics Behind the Scenes

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Papers authored by François-Xavier Coudert