David Lesthaeghe

发表

Multi-level Modeling of Silica–Template Interactions During Initial Stages of Zeolite Synthesis

A. Jansen, R. A. Santen, V. V. Speybroeck, 2009 .

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

V. V. Speybroeck, M. Vandichel, M. Waroquier, 2010 .

Understanding the failure of direct C-C coupling in the zeolite-catalyzed methanol-to-olefin process.

G. Marin, V. Van Speybroeck, M. Waroquier, 2006, Angewandte Chemie.

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

M. Vandichel, M. Waroquier, K. Hemelsoet, 2009 .

Theoretical evaluation of zeolite confinement effects on the reactivity of bulky intermediates.

V. Van Speybroeck, M. Waroquier, David Lesthaeghe, 2009, Physical chemistry chemical physics : PCCP.

29Si NMR and UV−Raman Investigation of Initial Oligomerization Reaction Pathways in Acid-Catalyzed Silica Sol−Gel Chemistry

K. Houthoofd, C. Kirschhock, J. Martens, 2011 .

First principle kinetic studies of zeolite-catalyzed methylation reactions.

Michel Waroquier, Matthias Vandichel, An Ghysels, 2011, Journal of the American Chemical Society.

Bifunctional acid–base catalyzed reactions in zeolites from the HSAB viewpoint

M. Waroquier, K. Hemelsoet, David Lesthaeghe, 2006 .

Global DFT-based reactivity indicators: An assessment of theoretical procedures in zeolite catalysis

M. Waroquier, K. Hemelsoet, David Lesthaeghe, 2007 .

A complete catalytic cycle for supramolecular methanol-to-olefins conversion by linking theory with experiment.

D. McCann, V. Van Speybroeck, M. Waroquier, 2008, Angewandte Chemie.

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

M. Vandichel, M. Waroquier, Veronique Van Speybroeck, 2011 .

Zeolite shape-selectivity in the gem-methylation of aromatic hydrocarbons.

G. Marin, V. Van Speybroeck, M. Waroquier, 2007, Angewandte Chemie.

Theoretical insights on methylbenzene side-chain growth in ZSM-5 zeolites for methanol-to-olefin conversion.

Michel Waroquier, David Lesthaeghe, G. Marin, 2009, Chemistry.

The Rise and Fall of Direct Mechanisms in Methanol-to-Olefin Catalysis: An Overview of Theoretical Contributions

Michel Waroquier, Veronique Van Speybroeck, Guy Marin, 2007 .

MFI Fingerprint : How Pentasil-Induced IR Bands Shift during Zeolite Nanogrowth

Toon Verstraelen, Michel Waroquier, Veronique Van Speybroeck, 2008 .

What role do oxonium ions and oxonium ylides play in the ZSM-5 catalysed methanol-to-olefin process?

G. Marin, M. Waroquier, David Lesthaeghe, 2006 .

DFT investigation of alkoxide vs alkylammonium formation in amine-substituted zeolites.

G. Marin, V. Van Speybroeck, M. Waroquier, 2005, The journal of physical chemistry. B.

Refinement of the supramolecular concept in methanol-to-olefin catalysis

G. Marin, M. Waroquier, David Lesthaeghe, 2007 .

Theoretical study on the alteration of fundamental zeolite properties by methylene functionalization

G. Marin, M. Waroquier, David Lesthaeghe, 2006 .

First principle kinetic studies of zeolite-catalyzed methylation reactions.

M. Vandichel, G. Marin, V. Van Speybroeck, 2011, Journal of the American Chemical Society.

A complete catalytic cycle for supramolecular methanol-to-olefins conversion by linking theory with experiment.

D. McCann, V. Van Speybroeck, M. Waroquier, 2008, Angewandte Chemie.

Recent theoretical insights into the role of the zeolite framework on methanol-to-olefin conversion

M. Waroquier, David Lesthaeghe, V. Speybroeck, 2008 .