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List of works by An Ghysels

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

article

MFI Fingerprint: How Pentasil-Induced IR Bands Shift during Zeolite Nanogrowth

Membrane Permeability: Characteristic Times and Lengths for Oxygen and a Simulation-Based Test of the Inhomogeneous Solubility-Diffusion Model

scientific article published on 28 June 2018

Membrane permeability of small molecules from unbiased molecular dynamics simulations

scientific article published on 01 September 2020

On the Thermodynamics of Framework Breathing: A Free Energy Model for Gas Adsorption in MIL-53

Permeability of membranes in the liquid ordered and liquid disordered phases

scientific article published on 09 December 2019

Permeation Rates of Oxygen through a Lipid Bilayer Using Replica Exchange Transition Interface Sampling

scientific article published on 28 December 2020

Position-Dependent Diffusion Tensors in Anisotropic Media from Simulation: Oxygen Transport in and through Membranes.

scientific article published on 8 May 2017

The Importance of Cell Shape Sampling to Accurately Predict Flexibility in Metal-Organic Frameworks.

scientific article published on 14 February 2018

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