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Veronique Van Speybroeck
Veronique Van Speybroeck
Full professor, Ghent University
Geverifieerd e-mailadres voor ugent.be - Homepage
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Reproducibility in density functional theory calculations of solids
K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ...
Science 351 (6280), aad3000, 2016
11352016
Synthesis modulation as a tool to increase the catalytic activity of metal–organic frameworks: the unique case of UiO-66 (Zr)
F Vermoortele, B Bueken, G Le Bars, B Van de Voorde, M Vandichel, ...
Journal of the American Chemical Society 135 (31), 11465-11468, 2013
10282013
Metal–organic and covalent organic frameworks as single-site catalysts
SMJ Rogge, A Bavykina, J Hajek, H Garcia, AI Olivos-Suarez, ...
Chemical Society Reviews 46 (11), 3134-3184, 2017
9602017
Error estimates for solid-state density-functional theory predictions: an overview by means of the ground-state elemental crystals
K Lejaeghere, V Van Speybroeck, G Van Oost, S Cottenier
Critical reviews in solid state and materials sciences 39 (1), 1-24, 2014
5722014
Mj vansetten, v. van speybroeck, jm wills, jr yates, gx zhang, s. cottenier, reproducibility in density functional theory calculations of solids
K Lejaeghere, G Bihlmayer, T Bjorkman, P Blaha, S Blugel, V Blum, ...
Science 351, 1415ŰU1481, 2016
495*2016
Thermal unequilibrium of strained black CsPbI3 thin films
JA Steele, H Jin, I Dovgaliuk, RF Berger, T Braeckevelt, H Yuan, C Martin, ...
Science 365 (6454), 679-684, 2019
4932019
Advances in theory and their application within the field of zeolite chemistry
V Van Speybroeck, K Hemelsoet, L Joos, M Waroquier, RG Bell, ...
Chemical Society Reviews 44 (20), 7044-7111, 2015
4922015
Electrophilicity and nucleophilicity index for radicals
F De Vleeschouwer, V Van Speybroeck, M Waroquier, P Geerlings, ...
Organic letters 9 (14), 2721-2724, 2007
4752007
Electronic effects of linker substitution on Lewis acid catalysis with metal–organic frameworks
F Vermoortele, M Vandichel, B Van de Voorde, R Ameloot, M Waroquier, ...
Angewandte Chemie International Edition 51 (20), 4887-4890, 2012
4642012
Regioselectivity in the ring opening of non-activated aziridines
S Stanković, M D'hooghe, S Catak, H Eum, M Waroquier, ...
Chemical Society Reviews 41 (2), 643-665, 2012
4542012
Triazolinediones enable ultrafast and reversible click chemistry for the design of dynamic polymer systems
S Billiet, K De Bruycker, F Driessen, H Goossens, V Van Speybroeck, ...
Nature chemistry 6 (9), 815-821, 2014
3272014
Systematic study of the chemical and hydrothermal stability of selected “stable” Metal Organic Frameworks
K Leus, T Bogaerts, J De Decker, H Depauw, K Hendrickx, H Vrielinck, ...
Microporous and Mesoporous Materials 226, 110-116, 2016
3242016
A complete catalytic cycle for supramolecular methanol‐to‐olefins conversion by linking theory with experiment
DM McCann, D Lesthaeghe, PW Kletnieks, DR Guenther, MJ Hayman, ...
Angewandte Chemie 120 (28), 5257-5260, 2008
3222008
Understanding the Failure of Direct C C Coupling in the Zeolite‐Catalyzed Methanol‐to‐Olefin Process
D Lesthaeghe, V Van Speybroeck, GB Marin, M Waroquier
Angewandte Chemie 118 (11), 1746-1751, 2006
3062006
Unraveling the reaction mechanisms governing methanol‐to‐olefins catalysis by theory and experiment
K Hemelsoet, J Van der Mynsbrugge, K De Wispelaere, M Waroquier, ...
ChemPhysChem 14 (8), 1526-1545, 2013
3002013
i-PI 2.0: A universal force engine for advanced molecular simulations
V Kapil, M Rossi, O Marsalek, R Petraglia, Y Litman, T Spura, B Cheng, ...
Computer Physics Communications 236, 214-223, 2019
2872019
Structure–performance descriptors and the role of Lewis acidity in the methanol-to-propylene process
I Yarulina, K De Wispelaere, S Bailleul, J Goetze, M Radersma, ...
Nature chemistry 10 (8), 804-812, 2018
2532018
Strongly Reducing (Diarylamino)benzene-Based Covalent Organic Framework for Metal-Free Visible Light Photocatalytic H2O2 Generation
C Krishnaraj, H Sekhar Jena, L Bourda, A Laemont, P Pachfule, J Roeser, ...
Journal of the American Chemical Society 142 (47), 20107-20116, 2020
2452020
First principle chemical kinetics in zeolites: the methanol-to-olefin process as a case study
V Van Speybroeck, K De Wispelaere, J Van der Mynsbrugge, ...
Chemical Society Reviews 43 (21), 7326-7357, 2014
2392014
Structure-mechanical stability relations of metal-organic frameworks via machine learning
PZ Moghadam, SMJ Rogge, A Li, CM Chow, J Wieme, N Moharrami, ...
Matter 1 (1), 219-234, 2019
2332019
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Artikelen 1–20