Publications

Publications

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61 entries « 2 of 2 »

2012

Vanduyfhuys, L; Verstraelen, T; Vandichel, M; Waroquier, M; Speybroeck, V Van

Ab Initio Parametrized Force Field for the Flexible Metal-Organic Framework MIL-53(Al) Journal Article

In: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, vol. 8, no. 9, pp. 3217-3231, 2012, ISSN: 1549-9618.

Abstract | Links | BibTeX

Ghysels, An; Vandichel, Matthias; Verstraelen, Toon; van der Veen, Monique A; Vos, Dirk E De; Waroquier, Michel; Speybroeck, Veronique Van

Host-guest and guest-guest interactions between xylene isomers confined in the MIL-47(V) pore system Journal Article

In: THEORETICAL CHEMISTRY ACCOUNTS, vol. 131, no. 7, 2012, ISSN: 1432-881X.

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der Mynsbrugge, Jeroen Van; Hemelsoet, Karen; Vandichel, Matthias; Waroquier, Michel; Speybroeck, Veronique Van

Efficient Approach for the Computational Study of Alcohol and Nitrile Adsorption in H-ZSM-5 Journal Article

In: JOURNAL OF PHYSICAL CHEMISTRY C, vol. 116, no. 9, pp. 5499-5508, 2012, ISSN: 1932-7447.

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Vermoortele, Frederik; Vandichel, Matthias; de Voorde, Ben Van; Ameloot, Rob; Waroquier, Michel; Speybroeck, Veronique Van; Vos, Dirk E De

Electronic Effects of Linker Substitution on Lewis Acid Catalysis with Metal-Organic Frameworks Journal Article

In: ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, vol. 51, no. 20, pp. 4887-4890, 2012, ISSN: 1433-7851.

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Leus, Karen; Vandichel, Matthias; Liu, Ying-Ya; Muylaert, Ilke; Musschoot, Jan; Pyl, Steven; Vrielinck, Henk; Callens, Freddy; Marin, Guy B; Detavernier, Christophe; Wiper, Paul V; Khimyak, Yaroslav Z; Waroquier, Michel; Speybroeck, Veronique Van; der Voort, Pascal Van

The coordinatively saturated vanadium MIL-47 as a low leaching heterogeneous catalyst in the oxidation of cyclohexene Journal Article

In: JOURNAL OF CATALYSIS, vol. 285, no. 1, pp. 196-207, 2012, ISSN: 0021-9517.

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Leus, Karen; Couck, Sarah; Vandichel, Matthias; Vanhaelewyn, Gauthier; Liu, Ying-Ya; Marin, Guy B; Driessche, Isabel Van; Depla, Diederik; Waroquier, Michel; Speybroeck, Veronique Van; Denayer, Joeri F M; Voort, Pascal Van Der

Synthesis, characterization and sorption properties of NH2-MIL-47 Journal Article

In: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol. 14, no. 44, pp. 15562-15570, 2012, ISSN: 1463-9076.

Abstract | Links | BibTeX

2011

Speybroeck, Veronique Van; der Mynsbrugge, Jeroen Van; Vandichel, Matthias; Hemelsoet, Karen; Lesthaeghe, David; Ghysels, An; Marin, Guy B; Waroquier, Michel

First Principle Kinetic Studies of Zeolite-Catalyzed Methylation Reactions Journal Article

In: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, vol. 133, no. 4, pp. 888-899, 2011, ISSN: 0002-7863.

Abstract | Links | BibTeX

Lesthaeghe, David; der Mynsbrugge, Jeroen Van; Vandichel, Matthias; Waroquier, Michel; Speybroeck, Veronique Van

Full Theoretical Cycle for both Ethene and Propene Formation during Methanol-to-Olefin Conversion in H-ZSM-5 Journal Article

In: CHEMCATCHEM, vol. 3, no. 1, pp. 208-212, 2011, ISSN: 1867-3880.

Abstract | Links | BibTeX

2010

Vandichel, Matthias; Lesthaeghe, David; der Mynsbrugge, Jeroen Van; Waroquier, Michel; Speybroeck, Veronique Van

Assembly of cyclic hydrocarbons from ethene and propene in acid zeolite catalysis to produce active catalytic sites for MTO conversion Journal Article

In: JOURNAL OF CATALYSIS, vol. 271, no. 1, pp. 67-78, 2010, ISSN: 0021-9517.

Abstract | Links | BibTeX

Leus, Karen; Muylaert, Ilke; Vandichel, Matthias; Marin, Guy B; Waroquier, Michel; Speybroeck, Veronique Van; der Voort, Pascal Van

The remarkable catalytic activity of the saturated metal organic framework V-MIL-47 in the cyclohexene oxidation Journal Article

In: CHEMICAL COMMUNICATIONS, vol. 46, no. 28, pp. 5085-5087, 2010, ISSN: 1359-7345.

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2009

Hemelsoet, Karen; Nollet, Arno; Vandichel, Matthias; Lesthaeghe, David; Speybroeck, Veronique Van; Waroquier, Michel

The Effect of Confined Space on the Growth of Naphthalenic Species in a Chabazite-Type Catalyst: A Molecular Modeling Study Journal Article

In: CHEMCATCHEM, vol. 1, no. 3, pp. 373-378, 2009, ISSN: 1867-3880.

Abstract | Links | BibTeX

61 entries « 2 of 2 »