prof. dr. ir. Louis Vanduyfhuys
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- Journal Article
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On the intrinsic dynamic nature of the rigid UiO-66 metal-organic framework
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- Journal Article
- A1
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Protocol for identifying accurate collective variables in enhanced molecular dynamics simulations for the description of structural transformations in flexible metal-organic frameworks
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- Journal Article
- A1
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How chain length and branching influence the alkene cracking reactivity on H-ZSM-5
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- Conference Paper
- C3
- open access
Non-covalent force field expressed in terms of spherical density functions
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- Journal Article
- A1
- open access
Thermodynamic insight into stimuli-responsive behaviour of soft porous crystals
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- Journal Article
- A1
- open access
Elucidating the vibrational fingerprint of the flexible metal-organic framework MIL-53(Al) using a combined experimental/computational approach
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- Book Chapter
- open access
Entropy contributions to transition state modeling
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- Journal Article
- A1
- open access
Mechanical properties of a gallium fumarate metal–organic framework : a joint experimental-modelling exploration
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- Journal Article
- A1
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Efficient construction of free energy profiles of breathing metal–organic frameworks using advanced molecular dynamics simulations
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- Journal Article
- A1
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A breathing zirconium metal-organic framework with reversible loss of crystallinity by correlated nanodomain formation
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- Journal Article
- A1
- open access
Vibrational fingerprint of the absorption properties of UiO-type MOF materials
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- Journal Article
- A1
- open access
Is the error on first-principles volume predictions absolute or relative?
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- Journal Article
- A1
- open access
Thermodynamic insight in the high-pressure behavior of UiO-66: effect of linker defects and linker expansion
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- Journal Article
- A1
- open access
Mechanical energy storage performance of an aluminum fumarate metal-organic framework
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- Journal Article
- A1
- open access
On the stability and nature of adsorbed pentene in Bronsted acid zeolite H-ZSM-5 at 323 K
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- Journal Article
- A1
- open access
Minimal basis iterative stockholder : atoms in molecules for force-field development
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- Journal Article
- A1
- open access
Exploring the flexibility of MIL-47(V)-type materials using force field molecular dynamics simulations
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- Journal Article
- A1
- open access
QuickFF: a program for a quick and easy derivation of force fields for metal-organic frameworks from ab initio input
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- Journal Article
- A1
- open access
Semi-analytical mean-field model for predicting breathing in metal–organic frameworks
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Fine-tuning the theoretically predicted structure of MIL-47(V) with the aid of powder X-ray diffraction