M
Michel Waroquier
Researcher at Ghent University
Publications - 437
Citations - 17170
Michel Waroquier is an academic researcher from Ghent University. The author has contributed to research in topics: Density functional theory & Ab initio. The author has an hindex of 63, co-authored 437 publications receiving 15244 citations. Previous affiliations of Michel Waroquier include Vrije Universiteit Brussel & University of Oslo.
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Journal ArticleDOI
Synthesis Modulation as a Tool To Increase the Catalytic Activity of Metal–Organic Frameworks: The Unique Case of UiO-66(Zr)
Frederik Vermoortele,Bart Bueken,Gaëlle Le Bars,Ben Van de Voorde,Matthias Vandichel,Kristof Houthoofd,Alexandre Vimont,Marco Daturi,Michel Waroquier,Veronique Van Speybroeck,Christine E. A. Kirschhock,Dirk De Vos +11 more
TL;DR: The catalytic activity of the zirconium terephthalate UiO-66(Zr) can be drastically increased by using a modulation approach, resulting in a more open framework with a large number of open sites and is a highly active catalyst for several Lewis acid catalyzed reactions.
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Advances in theory and their application within the field of zeolite chemistry.
Veronique Van Speybroeck,Karen Hemelsoet,Lennart Joos,Michel Waroquier,Robert G. Bell,C. Richard A. Catlow +5 more
TL;DR: In this review most of the currently available modeling tools are introduced and illustrated on the most challenging problems in zeolite science and Directions for future model developments will be given.
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Electronic Effects of Linker Substitution on Lewis Acid Catalysis with Metal–Organic Frameworks
Frederik Vermoortele,Matthias Vandichel,Ben Van de Voorde,Rob Ameloot,Michel Waroquier,Veronique Van Speybroeck,Dirk De Vos +6 more
TL;DR: A clear linear free-energy relationship (LFER) was found between Hammett σ(m) values of the linker substituents X and the rate k(X) of a carbonyl-ene reaction, the first LFER ever observed for MOF catalysts.
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Regioselectivity in the ring opening of non-activated aziridines.
Sonja Stanković,Matthias D'hooghe,Saron Catak,Heesung Eum,Michel Waroquier,Veronique Van Speybroeck,Norbert De Kimpe,Hyun-Joon Ha +7 more
TL;DR: This overview should allow chemists to gain insight into the factors governing the regioselectivity in aziridinium ring openings and inherent structural features such as the nature of the C2 aziridine substituent and the natureof the electrophile and the nucleophile.
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Electrophilicity and Nucleophilicity Index for Radicals
Freija De Vleeschouwer,Veronique Van Speybroeck,Michel Waroquier,and Paul Geerlings,Frank De Proft +4 more
TL;DR: The global electrophilic/nucleophilic scale correlates well with the nucleophilicity scale, suggesting that these concepts are inversely related.