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The Journal of Chemical Physics
|
November 24, 2014
Direct computation of parameters for accurate polarizable force fields
Toon Verstraelen, Steven Vandenbrande, Paul W Ayers
Journal of Chemical Theory and Computation
|
December 10, 2016
The Monomer Electron Density Force Field (MEDFF): A Physically Inspired Model for Noncovalent Interactions
Steven Vandenbrande, Michel Waroquier, Veronique Van Speybroeck, et al.
Journal of Chemical Theory and Computation
|
October 31, 2018
Ab Initio Evaluation of Henry Coefficients Using Importance Sampling
Steven Vandenbrande, Michel Waroquier, Veronique Van Speybroeck, et al.
Journal of Computational Chemistry
|
March 6, 2015
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, 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.
Journal of Computational Chemistry
|
February 4, 2018
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, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
November 25, 2017
Methane Adsorption in Zr-Based MOFs: Comparison and Critical Evaluation of Force Fields
Steven Vandenbrande, Toon Verstraelen, Juan José Gutiérrez-Sevillano, et al.
Journal of the American Chemical Society
|
March 12, 2020
Light Olefin Diffusion during the MTO Process on H-SAPO-34: A Complex Interplay of Molecular Factors
Pieter Cnudde, Ruben Demuynck, Steven Vandenbrande, et al.
Journal of Chemical Theory and Computation
|
July 8, 2016
Minimal Basis Iterative Stockholder: Atoms in Molecules for Force-Field Development
Toon Verstraelen, Steven Vandenbrande, Farnaz Heidar-Zadeh, et al.
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Search research articles
Search
Showing results (1-10 of 16) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
November 24, 2014
Direct computation of parameters for accurate polarizable force fields
Toon Verstraelen, Steven Vandenbrande, Paul W Ayers
Journal of Chemical Theory and Computation
|
December 10, 2016
The Monomer Electron Density Force Field (MEDFF): A Physically Inspired Model for Noncovalent Interactions
Steven Vandenbrande, Michel Waroquier, Veronique Van Speybroeck, et al.
Journal of Chemical Theory and Computation
|
October 31, 2018
Ab Initio Evaluation of Henry Coefficients Using Importance Sampling
Steven Vandenbrande, Michel Waroquier, Veronique Van Speybroeck, et al.
Journal of Computational Chemistry
|
March 6, 2015
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, 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.
Journal of Computational Chemistry
|
February 4, 2018
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, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
November 25, 2017
Methane Adsorption in Zr-Based MOFs: Comparison and Critical Evaluation of Force Fields
Steven Vandenbrande, Toon Verstraelen, Juan José Gutiérrez-Sevillano, et al.
Journal of the American Chemical Society
|
March 12, 2020
Light Olefin Diffusion during the MTO Process on H-SAPO-34: A Complex Interplay of Molecular Factors
Pieter Cnudde, Ruben Demuynck, Steven Vandenbrande, et al.
Journal of Chemical Theory and Computation
|
July 8, 2016
Minimal Basis Iterative Stockholder: Atoms in Molecules for Force-Field Development
Toon Verstraelen, Steven Vandenbrande, Farnaz Heidar-Zadeh, et al.
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of 2