E-LIB Suche - Ergebnisse für: Vanduyfhuys, Louis

1

High-Throughput Screening of Covalent Organic Frameworks fo..:

De Vos, Juul S. ; Ravichandran, Siddharth ; Borgmans, Sander...
Chemistry of Materials. 36 (2024) 9 - p. 4315-4330 , 2024

Link: https://doi.org/10.1021/..

2

Reaching Quantum Accuracy in Predicting Adsorption Properti..:

Ravichandran, Siddharth ; Najafi, Mahsa ; Goeminne, Ruben...
Journal of Chemical Theory and Computation. 20 (2024) 12 - p. 5225-5240 , 2024

Link: https://doi.org/10.1021/..

3

Operando Modeling of Zeolite-Catalyzed Reactions Using Firs..:

Van Speybroeck, Veronique ; Bocus, Massimo ; Cnudde, Pieter.
ACS Catalysis. 13 (2023) 17 - p. 11455-11493 , 2023

Link: https://doi.org/10.1021/..

4

OGRe: Optimal Grid Refinement Protocol for Accurate Free En..:

Borgmans, Sander ; Rogge, Sven M. J. ; Vanduyfhuys, Louis.
Journal of Chemical Theory and Computation. 19 (2023) 24 - p. 9032-9048 , 2023

Link: https://doi.org/10.1021/..

5

DFT-Quality Adsorption Simulations in Metal–Organic Framewo..:

Goeminne, Ruben ; Vanduyfhuys, Louis ; Van Speybroeck, Veronique.
Journal of Chemical Theory and Computation. 19 (2023) 18 - p. 6313-6325 , 2023

Link: https://doi.org/10.1021/..

6

Mechanistic Characterization of Zeolite-Catalyzed Aromatic ..:

Bocus, Massimo ; Vanduyfhuys, Louis ; De Proft, Frank..
JACS Au. 2 (2022) 2 - p. 502-514 , 2022

Link: https://doi.org/10.1021/..

7

Crystals springing into action: metal–organic framework CUK..:

Iacomi, Paul ; Lee, Ji Sun ; Vanduyfhuys, Louis...
Chemical Science. 12 (2021) 15 - p. 5682-5687 , 2021

Link: https://doi.org/10.1039/..

8

Cation−π Interactions Accelerate the Living Cationic Ring-O..:

Van Den Broeck, Elias ; Verbraeken, Bart ; Dedecker, Karen...
Macromolecules. 53 (2020) 10 - p. 3832-3846 , 2020

Link: https://doi.org/10.1021/..

9

Ab initio enhanced sampling kinetic study on MTO ethene met..:

Bailleul, Simon ; Dedecker, Karen ; Cnudde, Pieter...
Journal of Catalysis. 388 (2020) - p. 38-51 , 2020

Link: https://doi.org/10.1016/..

10

Mechanistic Insight into the Framework Methylation of H-ZSM..:

Nastase, Stefan A. F. ; Cnudde, Pieter ; Vanduyfhuys, Louis...
ACS Catalysis. 10 (2020) 15 - p. 8904-8915 , 2020

Link: https://doi.org/10.1021/..

11

Insight into the Role of Water on the Methylation of Hexame..:

Bailleul, Simon ; Rogge, Sven M. J. ; Vanduyfhuys, Louis.
ChemCatChem. 11 (2019) 16 - p. 3993-4010 , 2019

Link: https://doi.org/10.1002/..

12

Modeling Gas Adsorption in Flexible Metal–Organic Framework..:

Rogge, Sven M. J. ; Goeminne, Ruben ; Demuynck, Ruben...
Advanced Theory and Simulations. 2 (2019) 4 - p. , 2019

Link: https://doi.org/10.1002/..

13

Pillared-layered metal–organic frameworks for mechanical en..:

Wieme, Jelle ; Rogge, Sven M. J. ; Yot, Pascal G....
Journal of Materials Chemistry A. 7 (2019) 39 - p. 22663-22674 , 2019

Link: https://doi.org/10.1039/..

14

Thermal Engineering of Metal–Organic Frameworks for Adsorpt..:

Wieme, Jelle ; Vandenbrande, Steven ; Lamaire, Aran...
ACS Applied Materials & Interfaces. 11 (2019) 42 - p. 38697-38707 , 2019

Link: https://doi.org/10.1021/..

15

The impact of lattice vibrations on the macroscopic breathi..:

Hoffman, Alexander E.J. ; Wieme, Jelle ; Rogge, Sven M.J...
Zeitschrift für Kristallographie - Crystalline Materials. 234 (2019) 7-8 - p. 529-545 , 2019

Link: https://doi.org/10.1515/..