Publications by authors named "Steven Vandenbrande"

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High-rate nanofluidic energy absorption in porous zeolitic frameworks.
Yueting Sun, Sven M J Rogge, Aran Lamaire, Steven Vandenbrande, Jelle Wieme

Nat Mater· July 2021

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Chlorination of a Zeolitic-Imidazolate Framework Tunes Packing and van der Waals Interaction of Carbon Dioxide for Optimized Adsorptive Separation.
Lik H Wee, Steven Vandenbrande, Sven M J Rogge, Jelle Wieme, Karel Asselman

J Am Chem Soc· April 2021

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Light Olefin Diffusion during the MTO Process on H-SAPO-34: A Complex Interplay of Molecular Factors.
Pieter Cnudde, Ruben Demuynck, Steven Vandenbrande, Michel Waroquier, German Sastre

J Am Chem Soc· April 2020

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Charting the Metal-Dependent High-Pressure Stability of Bimetallic UiO-66 Materials.
Sven M J Rogge, Pascal G Yot, Jannick Jacobsen, Francesco Muniz-Miranda, Steven Vandenbrande

ACS Mater Lett· April 2020

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Thermal Engineering of Metal-Organic Frameworks for Adsorption Applications: A Molecular Simulation Perspective.
Jelle Wieme, Steven Vandenbrande, Aran Lamaire, Venkat Kapil, Louis Vanduyfhuys

ACS Appl Mater Interfaces· October 2019

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Modeling the Structural and Thermal Properties of Loaded Metal-Organic Frameworks. An Interplay of Quantum and Anharmonic Fluctuations.
Venkat Kapil, Jelle Wieme, Steven Vandenbrande, Aran Lamaire, Veronique Van Speybroeck

J Chem Theory Comput· May 2019

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Ab Initio Evaluation of Henry Coefficients Using Importance Sampling.
Steven Vandenbrande, Michel Waroquier, Veronique Van Speybroeck, Toon Verstraelen

J Chem Theory Comput· December 2018

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Extension of the QuickFF force field protocol for an improved accuracy of structural, vibrational, mechanical and thermal properties of metal-organic frameworks.
Louis Vanduyfhuys, Steven Vandenbrande, Jelle Wieme, Michel Waroquier, Toon Verstraelen

J Comput Chem· June 2018

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Influence of a Confined Methanol Solvent on the Reactivity of Active Sites in UiO-66.
Chiara Caratelli, Julianna Hajek, Sven M J Rogge, Steven Vandenbrande, Evert Jan Meijer

Chemphyschem· February 2018

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Methane Adsorption in Zr-Based MOFs: Comparison and Critical Evaluation of Force Fields.
Steven Vandenbrande, Toon Verstraelen, Juan José Gutiérrez-Sevillano, Michel Waroquier, Veronique Van Speybroeck

J Phys Chem C Nanomater Interfaces· November 2017

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Alternating Copolymer of Double Four Ring Silicate and Dimethyl Silicone Monomer-PSS-1.
Sam Smet, Steven Vandenbrande, Pieter Verlooy, Stef Kerkhofs, Eric Breynaert

Chemistry· August 2017

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The Monomer Electron Density Force Field (MEDFF): A Physically Inspired Model for Noncovalent Interactions.
Steven Vandenbrande, Michel Waroquier, Veronique Van Speybroeck, Toon Verstraelen

J Chem Theory Comput· January 2017

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Minimal Basis Iterative Stockholder: Atoms in Molecules for Force-Field Development.
Toon Verstraelen, Steven Vandenbrande, Farnaz Heidar-Zadeh, Louis Vanduyfhuys, Veronique Van Speybroeck

J Chem Theory Comput· August 2016

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Thermodynamic Insight in the High-Pressure Behavior of UiO-66: Effect of Linker Defects and Linker Expansion.
Sven M J Rogge, Jelle Wieme, Louis Vanduyfhuys, Steven Vandenbrande, Guillaume Maurin

Chem Mater· August 2016

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QuickFF: A program for a quick and easy derivation of force fields for metal-organic frameworks from ab initio input.
Louis Vanduyfhuys, Steven Vandenbrande, Toon Verstraelen, Rochus Schmid, Michel Waroquier

J Comput Chem· May 2015

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Direct computation of parameters for accurate polarizable force fields.
Toon Verstraelen, Steven Vandenbrande, Paul W Ayers

J Chem Phys· November 2014

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