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Faraday Discussions
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October 29, 2020
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
Aran Lamaire, Jelle Wieme, Alexander E J Hoffman, et al.
Journal of Chemical Theory and Computation
|
December 23, 2022
Quantum Free Energy Profiles for Molecular Proton Transfers
Aran Lamaire, Maarten Cools-Ceuppens, Massimo Bocus, et al.
The Journal of Chemical Physics
|
March 10, 2019
On the importance of anharmonicities and nuclear quantum effects in modelling the structural properties and thermal expansion of MOF-5
Aran Lamaire, Jelle Wieme, Sven M J Rogge, et al.
ACS Applied Materials & Interfaces
|
September 27, 2019
Thermal Engineering of Metal-Organic Frameworks for Adsorption Applications: A Molecular Simulation Perspective
Jelle Wieme, Steven Vandenbrande, Aran Lamaire, et al.
Journal of Chemical Theory and Computation
|
April 20, 2019
Modeling the Structural and Thermal Properties of Loaded Metal-Organic Frameworks. An Interplay of Quantum and Anharmonic Fluctuations
Venkat Kapil, Jelle Wieme, Steven Vandenbrande, et al.
Nature Communications
|
February 23, 2023
Nuclear quantum effects on zeolite proton hopping kinetics explored with machine learning potentials and path integral molecular dynamics
Massimo Bocus, Ruben Goeminne, Aran Lamaire, et al.
Nature Communications
|
November 18, 2024
Water motifs in zirconium metal-organic frameworks induced by nanoconfinement and hydrophilic adsorption sites
Aran Lamaire, Jelle Wieme, Sander Vandenhaute, et al.
Nature Materials
|
April 23, 2021
High-rate nanofluidic energy absorption in porous zeolitic frameworks
Yueting Sun, Sven M J Rogge, Aran Lamaire, et al.
Small Science
|
April 11, 2025
Unraveling the Mechanisms of Zirconium Metal-Organic Frameworks-Based Mixed-Matrix Membranes Preventing Polysulfide Shuttling
Wenqing Lu, Zhenfeng Pang, Aran Lamaire, et al.
Science (New York, N.Y.)
|
December 15, 2022
Truly combining the advantages of polymeric and zeolite membranes for gas separations
Xiaoyu Tan, Sven Robijns, Raymond Thür, et al.
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of 2
Search research articles
Search
Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
Faraday Discussions
|
October 29, 2020
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
Aran Lamaire, Jelle Wieme, Alexander E J Hoffman, et al.
Journal of Chemical Theory and Computation
|
December 23, 2022
Quantum Free Energy Profiles for Molecular Proton Transfers
Aran Lamaire, Maarten Cools-Ceuppens, Massimo Bocus, et al.
The Journal of Chemical Physics
|
March 10, 2019
On the importance of anharmonicities and nuclear quantum effects in modelling the structural properties and thermal expansion of MOF-5
Aran Lamaire, Jelle Wieme, Sven M J Rogge, et al.
ACS Applied Materials & Interfaces
|
September 27, 2019
Thermal Engineering of Metal-Organic Frameworks for Adsorption Applications: A Molecular Simulation Perspective
Jelle Wieme, Steven Vandenbrande, Aran Lamaire, et al.
Journal of Chemical Theory and Computation
|
April 20, 2019
Modeling the Structural and Thermal Properties of Loaded Metal-Organic Frameworks. An Interplay of Quantum and Anharmonic Fluctuations
Venkat Kapil, Jelle Wieme, Steven Vandenbrande, et al.
Nature Communications
|
February 23, 2023
Nuclear quantum effects on zeolite proton hopping kinetics explored with machine learning potentials and path integral molecular dynamics
Massimo Bocus, Ruben Goeminne, Aran Lamaire, et al.
Nature Communications
|
November 18, 2024
Water motifs in zirconium metal-organic frameworks induced by nanoconfinement and hydrophilic adsorption sites
Aran Lamaire, Jelle Wieme, Sander Vandenhaute, et al.
Nature Materials
|
April 23, 2021
High-rate nanofluidic energy absorption in porous zeolitic frameworks
Yueting Sun, Sven M J Rogge, Aran Lamaire, et al.
Small Science
|
April 11, 2025
Unraveling the Mechanisms of Zirconium Metal-Organic Frameworks-Based Mixed-Matrix Membranes Preventing Polysulfide Shuttling
Wenqing Lu, Zhenfeng Pang, Aran Lamaire, et al.
Science (New York, N.Y.)
|
December 15, 2022
Truly combining the advantages of polymeric and zeolite membranes for gas separations
Xiaoyu Tan, Sven Robijns, Raymond Thür, et al.
Page
of 2