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Understanding the origins of metal-organic framework/polymer compatibility

Chemical science (Cambridge), 2018-01, Vol.9 (2), p.315-324

2018

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An Explanation for the Very Large Breathing Effect of a Metal-Organic Framework during CO2 Adsorption

Advanced materials (Weinheim), 2007-09, Vol.19 (17), p.2246-2251

2007

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Adsorption and Diffusion of Light Hydrocarbons in UiO-66(Zr): A Combination of Experimental and Modeling Tools

Journal of physical chemistry. C, 2014-11, Vol.118 (47), p.27470-27482

2014

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Diffusion of Light Hydrocarbons in the Flexible MIL-53(Cr) Metal–Organic Framework: A Combination of Quasi-Elastic Neutron Scattering Experiments and Molecular Dynamics Simulations

Journal of physical chemistry. C, 2014-07, Vol.118 (26), p.14471-14477

2014

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Diffusion of H2, CO2, and Their Mixtures in the Porous Zirconium Based Metal–Organic Framework MIL-140A(Zr): Combination of Quasi-Elastic Neutron Scattering Measurements and Molecular Dynamics Simulations

Journal of physical chemistry. C, 2015-10, Vol.119 (42), p.23978-23989

2015

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Exploration of the Long-Chain N-Alkanes Adsorption and Diffusion in the MOF-Type MIL-47 (V) Material by Combining Experimental and Molecular Simulation Tools

Journal of physical chemistry. C, 2011-07, Vol.115 (28), p.13868-13876

2011

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Probing the Adsorption Sites for CO2 in Metal Organic Frameworks Materials MIL-53 (Al, Cr) and MIL-47 (V) by Density Functional Theory

Journal of physical chemistry. C, 2008-01, Vol.112 (2), p.514-520

2008

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Adsorption of Small Molecules in the Porous Zirconium-Based Metal Organic Framework MIL-140A (Zr): A Joint Computational-Experimental Approach

Journal of physical chemistry. C, 2016-04, Vol.120 (13), p.7192-7200

2016

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Diffusion of H-2, CO2, and Their Mixtures in the Porous Zirconium Based Metal Organic Framework MIL-140A(Zr): Combination of Quasi-Elastic Neutron Scattering Measurements and Molecular Dynamics Simulations

Journal of physical chemistry. C, 2015-10, Vol.119 (42), p.23978-23989

2015

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Diffusion of Carbon Dioxide and Nitrogen in the Small‐Pore Titanium Bis(phosphonate) Metal–Organic Framework MIL‐91 (Ti): A Combination of Quasielastic Neutron Scattering Measurements and Molecular Dynamics Simulations

Chemphyschem, 2017-10, Vol.18 (19), p.2739-2746

2017

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Understanding the origins of metal-organic framework/polymer compatibilityElectronic supplementary information (ESI) available: Experimental and computational details. See DOI: 10.1039/c7sc04152g

2018-01

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Understanding the origins of metal–organic framework/polymer compatibility† †Electronic supplementary information (ESI) available: Experimental and computational details. See DOI: 10.1039/c7sc04152g

Chemical science (Cambridge), 2017-10, Vol.9 (2), p.315-324

2017

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Diffusion of H 2 , CO 2 , and Their Mixtures in the Porous Zirconium Based Metal–Organic Framework MIL-140A(Zr): Combination of Quasi-Elastic Neutron Scattering Measurements and Molecular Dynamics Simulations

Journal of physical chemistry. C, 2015-10, Vol.119 (42), p.23978-23989

2015

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Computational exploration of the gas adsorption on the iron tetracarboxylate metal-organic framework MIL-102

Molecular simulation, 2015-11, Vol.41 (16-17), p.1357-1370

2015

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Cation Mobility and the Sorption of Chloroform in Zeolite NaY: Molecular Dynamics Study

The journal of physical chemistry. B, 2005-03, Vol.109 (10), p.4738-4747

2005

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Diffusion of Molecular Hydrogen through Porous Materials: The Importance of Framework Flexibility

The journal of physical chemistry. B, 2004-04, Vol.108 (16), p.5088-5094

2004

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Incidence and properties of nanoscale defects in silicalite

Chemical communications (Cambridge, England), 2006-01 (4), p.442-444

2006

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Methyltrioxorhenium Interactions with Lewis Acid Sites of an Amorphous Silica−Alumina

Organometallics, 2006-04, Vol.25 (9), p.2157-2165

2006

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Probing the Adsorption Sites for CO 2 in Metal Organic Frameworks Materials MIL-53 (Al, Cr) and MIL-47 (V) by Density Functional Theory

Journal of physical chemistry. C, 2008-01, Vol.112 (2), p.514-520

2008

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Charge distribution in metal organic framework materials: transferability to a preliminary molecular simulation study of the CO(2) adsorption in the MIL-53 (Al) system

Physical chemistry chemical physics : PCCP, 2007-03, Vol.9 (9), p.1059-1063

2007

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Charge distribution in metal organic framework materials: transferability to a preliminary molecular simulation study of the CO 2 adsorption in the MIL-53 (Al) system

Physical chemistry chemical physics : PCCP, 2007, Vol.9 (9), p.1059-1063

2007

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Charge distribution in metal organic framework materials : transferability to a preliminary molecular simulation study of the CO2 adsorption in the MIL-53 (Al) system : Computational aspects of porous materials

Physical chemistry chemical physics : PCCP, 2007, Vol.9 (9), p.1059-1063

2007

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An Explanation for the Very Large Breathing Effect of a Metal–Organic Framework during CO 2 Adsorption

Advanced materials (Weinheim), 2007-09, Vol.19 (17), p.2246-2251

2007

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Molecular simulation of framework materials

Molecular simulation, 2015-01, Vol.41 (16-17), p.1357-1370

2015

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Molecular Modelling of Helix Stability in Carrageenans

Journal of molecular modeling, 2000-01, Vol.6 (6), p.477-490

2000

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Understanding the origins of metal-organic framework/polymer compatibility

An Explanation for the Very Large Breathing Effect of a Metal-Organic Framework during CO2 Adsorption

Adsorption and Diffusion of Light Hydrocarbons in UiO-66(Zr): A Combination of Experimental and Modeling Tools

Diffusion of Light Hydrocarbons in the Flexible MIL-53(Cr) Metal–Organic Framework: A Combination of Quasi-Elastic Neutron Scattering Experiments and Molecular Dynamics Simulations

Diffusion of H2, CO2, and Their Mixtures in the Porous Zirconium Based Metal–Organic Framework MIL-140A(Zr): Combination of Quasi-Elastic Neutron Scattering Measurements and Molecular Dynamics Simulations

Exploration of the Long-Chain N-Alkanes Adsorption and Diffusion in the MOF-Type MIL-47 (V) Material by Combining Experimental and Molecular Simulation Tools

Probing the Adsorption Sites for CO2 in Metal Organic Frameworks Materials MIL-53 (Al, Cr) and MIL-47 (V) by Density Functional Theory

Adsorption of Small Molecules in the Porous Zirconium-Based Metal Organic Framework MIL-140A (Zr): A Joint Computational-Experimental Approach

Diffusion of H-2, CO2, and Their Mixtures in the Porous Zirconium Based Metal Organic Framework MIL-140A(Zr): Combination of Quasi-Elastic Neutron Scattering Measurements and Molecular Dynamics Simulations

Diffusion of Carbon Dioxide and Nitrogen in the Small‐Pore Titanium Bis(phosphonate) Metal–Organic Framework MIL‐91 (Ti): A Combination of Quasielastic Neutron Scattering Measurements and Molecular Dynamics Simulations

Understanding the origins of metal-organic framework/polymer compatibilityElectronic supplementary information (ESI) available: Experimental and computational details. See DOI: 10.1039/c7sc04152g

Understanding the origins of metal–organic framework/polymer compatibility† †Electronic supplementary information (ESI) available: Experimental and computational details. See DOI: 10.1039/c7sc04152g

Diffusion of H 2 , CO 2 , and Their Mixtures in the Porous Zirconium Based Metal–Organic Framework MIL-140A(Zr): Combination of Quasi-Elastic Neutron Scattering Measurements and Molecular Dynamics Simulations

Computational exploration of the gas adsorption on the iron tetracarboxylate metal-organic framework MIL-102

Cation Mobility and the Sorption of Chloroform in Zeolite NaY: Molecular Dynamics Study

Diffusion of Molecular Hydrogen through Porous Materials: The Importance of Framework Flexibility

Incidence and properties of nanoscale defects in silicalite

Methyltrioxorhenium Interactions with Lewis Acid Sites of an Amorphous Silica−Alumina

Probing the Adsorption Sites for CO 2 in Metal Organic Frameworks Materials MIL-53 (Al, Cr) and MIL-47 (V) by Density Functional Theory

Charge distribution in metal organic framework materials: transferability to a preliminary molecular simulation study of the CO(2) adsorption in the MIL-53 (Al) system

Charge distribution in metal organic framework materials: transferability to a preliminary molecular simulation study of the CO 2 adsorption in the MIL-53 (Al) system

Charge distribution in metal organic framework materials : transferability to a preliminary molecular simulation study of the CO2 adsorption in the MIL-53 (Al) system : Computational aspects of porous materials

An Explanation for the Very Large Breathing Effect of a Metal–Organic Framework during CO 2 Adsorption

Molecular simulation of framework materials

Molecular Modelling of Helix Stability in Carrageenans

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