Publications

Recent A1 Articles Published online

Mechanistic insight into the framework methylation ofH-ZSM-5 for varying methanol loading and Si/Al ratiousing first principles molecular dynamics simulations , S. A. F. Nastase, P. Cnudde, L. Vanduyfhuys, K. De Wispelaere, V. Van Speybroeck, C.R.A. Catlow, A. J. Logsdail , ACS Catalysis , Published online , 2020 , IF: 12.221 , 12/159 [Q1]
N‐rich porous polymer with isolated Tb3+‐ions displays unique temperature dependent behavior through the absence of thermal quenching , F. Vanden Bussche, A.M. Kaczmarek, S. K. P. Veerapandian, J. Everaert, M. Debruyne, S. Abednatanzi, R. Morent, N. De Geyter, V. Van Speybroeck, P. Van der Voort, C.V. Stevens , Chemistry - A European Journal , Published online , 2020 , IF: 5.160 , 37/172 [Q1]
Cation−π Interactions Accelerate the Living Cationic Ring-Opening Polymerization of Unsaturated 2-Alkyl-2-oxazolines , E. Van den Broeck, B. Verbraeken, K. Dedecker, P. Cnudde, L. Vanduyfhuys, T. Verstraelen, K. Van Hecke, V. V. Jerca, S. Catak, R. Hoogenboom, V. Van Speybroeck , Macromolecules , Published online , 2020 , IF: 5.997 , 5/87 [Q1]
Atomistic insight in the flexibility and heat transport properties of the stimuli-responsive metal-organic framework MIL-53(Al) for water-adsorption applications using molecular simulations , A. Lamaire, J. Wieme, A.E.J. Hoffman, V. Van Speybroeck , Faraday Discussions , Published online , 2020 , IF: 3.712 , 52/148 [Q2]
The micromechanical model to computationally investigate cooperative and correlated phenomena in metal-organic frameworks , S.M.J. Rogge , Faraday Discussions , Published online , 2020 , IF: 3.797 , 59/159 [Q2]

Most recent A1 Publications

2020

Elucidating the promotional effect of a covalent triazine framework in aerobic oxidation , S. Abednatanzi, P. Gohari Derakhshandeh, P. Tack, F. Muniz-Miranda, Y-Y Liu, J. Everaert, M. Meledina, F. Vanden Bussche, L. Vincze, C. Stevens, V. Van Speybroeck, H. Vrielinck, F. Callens, K. Leus, P. Van der Voort , Applied Catalysis B: Environmental , 269, 118769 , 2020 , IF: 14.229 , 1/52 [Q1]
The potential of anthocyanins from blueberries as a natural dye for cotton: A combined experimental and theoretical study , K.T. Phan, E. Van den Broeck, V. Van Speybroeck, K. De Clerck, K. Raes, S. De Meester , Dyes and Pigments , 176, 108180 , 2020 , IF: 4.018 , 1/24 [Q1]
Light Olefin Diffusion during the MTO Process on H-SAPO-34: a Complex Interplay of Molecular Factors , P. Cnudde, R. Demuynck, S. Vandenbrande, M. Waroquier, G. Sastre, V. Van Speybroeck , JACS (Journal of the American Chemical Society) , 142 (13), 6007-6017 , 2020 , IF: 14.695 , 12/172 [Q1]

Most recent talks

Talk
Theoretical insights into mechanism and reactivity of zeolite-catalyzed alkylphenols dealkylation , M. Bocus, Y. Liao, B. F. Sels, V. Van Speybroeck , NCCC XXI , Noordwijkerhout,The Netherlands , Mon, 02/03/2020 to Wed, 04/03/2020
Talk
Transformation of aromatic biorefinery products into building blocks for fine chemicals , J. Bomon, E. Blondiaux, E. Van den Broeck, P. Mampuys, V. Van Speybroeck, B. F. Sels, B. U. W. Maes , 23rd Merck Organic Chemistry Symposium , Belgium (Blankenberge) , Thu, 05/12/2019 to Fri, 06/12/2019
Invited talk
Unraveling the Thermodynamic Criteria for Size-Dependent Spontaneous Phase Separation in Soft Porous Crystals , S.M.J. Rogge, M. Waroquier, V. Van Speybroeck , FlexMOF Symposium 2019 , Dresden, Germany , Tue, 03/12/2019 to Thu, 05/12/2019

Most recent conference posters

Construction of a Ready-To-Use Database to Enable Accurate High-Throughput Screenings of Covalent Organic Frameworks , J. De Vos, S. Borgmans, S.M.J. Rogge, R. Demuynck, P. Van der Voort, V. Van Speybroeck , MolSim 2020 , Amsterdam, The Netherlands , Mon, 06/01/2020 to Fri, 17/01/2020
Stabilizing the perovskite phase of cesium lead iodide thin films via interfacial strains , T. Braeckevelt, J.A. Steele, K. Lejaeghere, S.M.J. Rogge, M. Roeffaers, J. Hofkens, V. Van Speybroeck , MolSim-2020: Understanding Molecular Simulation , Amsterdam, The Netherlands , Mon, 06/01/2020 to Fri, 17/01/2020
Ab initio modeling of the zeolite-catalyzed conversion of alkylphenols into phenol and olefins , M. Bocus, J. Hajek, Y. Liao, B. F. Sels, V. Van Speybroeck , MolSim 2020 , Amsterdam, The Nederlands , Mon, 06/01/2020 to Fri, 17/01/2020