Sistemas Físicos, Químicos y Naturales
Fachbereich
David
Dubbeldam
Publikationen, an denen er mitarbeitet David Dubbeldam (11)
2024
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The impact of metal centers in the M-MOF-74 series on carbon dioxide and hydrogen separation
Separation and Purification Technology, Vol. 339
2023
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Evaluation of ZIF-8 flexible force fields for structural and mechanical properties
Microporous and Mesoporous Materials, Vol. 348
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RUPTURA: simulation code for breakthrough, ideal adsorption solution theory computations, and fitting of isotherm models
Molecular Simulation, Vol. 49, Núm. 9, pp. 893-953
2021
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Modifying the hydrophobic nature of MAF-6
Separation and Purification Technology, Vol. 277
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New Features of the Open Source Monte Carlo Software Brick-CFCMC: Thermodynamic Integration and Hybrid Trial Moves
Journal of Chemical Information and Modeling, Vol. 61, Núm. 8, pp. 3752-3757
2019
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Design, Parameterization, and Implementation of Atomic Force Fields for Adsorption in Nanoporous Materials
Advanced Theory and Simulations, Vol. 2, Núm. 11
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Improving Ammonia Production Using Zeolites
Journal of Physical Chemistry C, Vol. 123, Núm. 30, pp. 18475-18481
2018
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Diffusion Patterns in Zeolite MFI: The Cation Effect
Journal of Physical Chemistry C, Vol. 122, Núm. 51, pp. 29274-29284
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iRASPA: GPU-accelerated visualization software for materials scientists
Molecular Simulation, Vol. 44, Núm. 8, pp. 653-676
2016
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Aqueous Solutions of Ionic Liquids: Microscopic Assembly
ChemPhysChem, Vol. 17, Núm. 3, pp. 380-386
2015
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Enantioselective adsorption in zeolites and metal-organic frameworks
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY