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Proton Transport in a Highly Conductive Porous Zirconium-Based Metal-Organic Framework: Molecular Insight

Angewandte Chemie (International ed.), 2016-03, Vol.55 (12), p.3919-3924

International ed. in English, 2016

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Computational Exploration of the Water Concentration Dependence of the Proton Transport in the Porous UiO–66(Zr)–(CO2H)2 Metal–Organic Framework

Chemistry of materials, 2017-02, Vol.29 (4), p.1569-1576

2017

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Understanding the Thermodynamic and Kinetic Behavior of the CO2/CH4 Gas Mixture within the Porous Zirconium Terephthalate UiO-66(Zr): A Joint Experimental and Modeling Approach

Journal of physical chemistry. C, 2011-07, Vol.115 (28), p.13768-13774

2011

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Quasi-elastic neutron scattering and molecular dynamics simulation as complementary techniques for studying diffusion in zeolites

Microporous and mesoporous materials, 2007-05, Vol.102 (1), p.21-50

2007

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Guest Controlled Rotational Dynamics of Terephthalate Phenylenes in Metal–Organic Framework MIL-53(Al): Effect of Different Xylene Loadings

Journal of physical chemistry. C, 2014-07, Vol.118 (29), p.15978-15984

2014

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Influence of Structural Heterogeneity on Diffusion of CH4 and CO2 in Silicon Carbide-Derived Nanoporous Carbon

Journal of physical chemistry. C, 2014-06, Vol.118 (22), p.11784-11798

2014

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Probing the Dynamics of CO2 and CH4 within the Porous Zirconium Terephthalate UiO-66(Zr): A Synergic Combination of Neutron Scattering Measurements and Molecular Simulations

Chemistry : a European journal, 2011-08, Vol.17 (32), p.8882-8889

2011

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Diffusion of Binary CO2/CH4 Mixtures in the MIL-47(V) and MIL-53(Cr) Metal–Organic Framework Type Solids: A Combination of Neutron Scattering Measurements and Molecular Dynamics Simulations

Journal of physical chemistry. C, 2013-05, Vol.117 (21), p.11275-11284

2013

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A Complete Separation of Hexane Isomers by a Functionalized Flexible Metal Organic Framework

Advanced functional materials, 2014-12, Vol.24 (48), p.7666-7673

2014

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Experimental and Simulation Evidence of a Corkscrew Motion for Benzene in the Metal–Organic Framework MIL-47

Journal of physical chemistry. C, 2012-07, Vol.116 (28), p.15093-15098

2012

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Quantum Effects on Adsorption and Diffusion of Hydrogen and Deuterium in Microporous Materials

The journal of physical chemistry. B, 2006-08, Vol.110 (33), p.16666-16671

2006

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Quasi-Elastic Neutron Scattering and Molecular Dynamics Study of Methane Diffusion in Metal Organic Frameworks MIL-47(V) and MIL-53(Cr)

Angewandte Chemie (International ed.), 2008-08, Vol.47 (35), p.6611-6615

2008

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Highly Efficient and Stable CeNiHZOY Nano-Oxyhydride Catalyst for H2 Production from Ethanol at Room Temperature

Angewandte Chemie (International ed.), 2011-10, Vol.50 (43), p.10193-10197

International ed. in English, 2011

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Room Temperature Hydrogen Production from Ethanol over CeNiXHZOY Nano-Oxyhydride Catalysts

ChemCatChem, 2013-08, Vol.5 (8), p.2207-2216

2013

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Dynamical Properties of Confined Water Nanoclusters: Simulation Study of Hydrated Zeolite NaA: Structural and Vibrational Properties

ACS nano, 2008-08, Vol.2 (8), p.1603-1614

2008

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Intracrystalline Transport Resistances in Nanoporous Zeolite X

Chemphyschem, 2009-10, Vol.10 (14), p.2429-2433

2009

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Adsorption and Diffusion of H2 in the MOF Type Systems MIL-47(V) and MIL-53(Cr): A Combination of Microcalorimetry and QENS Experiments with Molecular Simulations

Journal of physical chemistry. C, 2009-05, Vol.113 (18), p.7802-7812

2009

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Direct 2H NMR Observation of the Proton Mobility of the Acidic Sites of Anhydrous 12-Tungstophosphoric Acid

Chemphyschem, 2013-06, Vol.14 (9), p.1783-1786

2013

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Molecular Insight into the Adsorption and Diffusion of Water in the Versatile Hydrophilic/Hydrophobic Flexible MIL-53(Cr) MOF

Journal of physical chemistry. C, 2011-06, Vol.115 (21), p.10764-10776

2011

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Diffusion of Isobutane in Silicalite: A Neutron Spin–Echo and Molecular Dynamics Simulation Study

Journal of physical chemistry. C, 2015-12, Vol.119 (48), p.26999-27006

2015

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A Water Stable Metal-Organic Framework with Optimal Features for CO2 Capture

Angewandte Chemie (International ed.), 2013-09, Vol.52 (39), p.10316-10320

International ed. in English, 2013

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Steam reforming and oxidative steam reforming for hydrogen production from bioethanol over Mg2AlNiXHZOY nano-oxyhydride catalysts

International journal of hydrogen energy, 2018-09, Vol.43 (37), p.17643-17655

2018

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Diffusion of Aromatics in Silicalite-1: Experimental and Theoretical Evidence of Entropic Barriers

Journal of physical chemistry. C, 2016-09, Vol.120 (38), p.21410-21426

2016

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Ultraslow Dynamics of a Framework Linker in MIL-53 (Al) as a Sensor for Different Isomers of Xylene

Journal of physical chemistry. C, 2016-09, Vol.120 (38), p.21704-21709

2016

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Self and Transport Diffusivity of CO2 in the Metal−Organic Framework MIL-47(V) Explored by Quasi-elastic Neutron Scattering Experiments and Molecular Dynamics Simulations

ACS nano, 2010-01, Vol.4 (1), p.143-152

2010

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Proton Transport in a Highly Conductive Porous Zirconium-Based Metal-Organic Framework: Molecular Insight

Computational Exploration of the Water Concentration Dependence of the Proton Transport in the Porous UiO–66(Zr)–(CO2H)2 Metal–Organic Framework

Understanding the Thermodynamic and Kinetic Behavior of the CO2/CH4 Gas Mixture within the Porous Zirconium Terephthalate UiO-66(Zr): A Joint Experimental and Modeling Approach

Quasi-elastic neutron scattering and molecular dynamics simulation as complementary techniques for studying diffusion in zeolites

Guest Controlled Rotational Dynamics of Terephthalate Phenylenes in Metal–Organic Framework MIL-53(Al): Effect of Different Xylene Loadings

Influence of Structural Heterogeneity on Diffusion of CH4 and CO2 in Silicon Carbide-Derived Nanoporous Carbon

Probing the Dynamics of CO2 and CH4 within the Porous Zirconium Terephthalate UiO-66(Zr): A Synergic Combination of Neutron Scattering Measurements and Molecular Simulations

Diffusion of Binary CO2/CH4 Mixtures in the MIL-47(V) and MIL-53(Cr) Metal–Organic Framework Type Solids: A Combination of Neutron Scattering Measurements and Molecular Dynamics Simulations

A Complete Separation of Hexane Isomers by a Functionalized Flexible Metal Organic Framework

Experimental and Simulation Evidence of a Corkscrew Motion for Benzene in the Metal–Organic Framework MIL-47

Quantum Effects on Adsorption and Diffusion of Hydrogen and Deuterium in Microporous Materials

Quasi-Elastic Neutron Scattering and Molecular Dynamics Study of Methane Diffusion in Metal Organic Frameworks MIL-47(V) and MIL-53(Cr)

Highly Efficient and Stable CeNiHZOY Nano-Oxyhydride Catalyst for H2 Production from Ethanol at Room Temperature

Room Temperature Hydrogen Production from Ethanol over CeNiXHZOY Nano-Oxyhydride Catalysts

Dynamical Properties of Confined Water Nanoclusters: Simulation Study of Hydrated Zeolite NaA: Structural and Vibrational Properties

Intracrystalline Transport Resistances in Nanoporous Zeolite X

Adsorption and Diffusion of H2 in the MOF Type Systems MIL-47(V) and MIL-53(Cr): A Combination of Microcalorimetry and QENS Experiments with Molecular Simulations

Direct 2H NMR Observation of the Proton Mobility of the Acidic Sites of Anhydrous 12-Tungstophosphoric Acid

Molecular Insight into the Adsorption and Diffusion of Water in the Versatile Hydrophilic/Hydrophobic Flexible MIL-53(Cr) MOF

Diffusion of Isobutane in Silicalite: A Neutron Spin–Echo and Molecular Dynamics Simulation Study

A Water Stable Metal-Organic Framework with Optimal Features for CO2 Capture

Steam reforming and oxidative steam reforming for hydrogen production from bioethanol over Mg2AlNiXHZOY nano-oxyhydride catalysts

Diffusion of Aromatics in Silicalite-1: Experimental and Theoretical Evidence of Entropic Barriers

Ultraslow Dynamics of a Framework Linker in MIL-53 (Al) as a Sensor for Different Isomers of Xylene

Self and Transport Diffusivity of CO2 in the Metal−Organic Framework MIL-47(V) Explored by Quasi-elastic Neutron Scattering Experiments and Molecular Dynamics Simulations

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