V. Van Speybroeck

The effects of methanol or dimethyl ether as methylating agent during zeolite catalysed benzene methylation

J. S. Martínez-Espín, M. Westgård Erichsen, K. De Wispelaere, S. Svelle, P. Beato, V. Van Speybroeck, U. Olsbye

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Talk

Conference / event / venue

12th European Congress on Catalysis (Europacat XII)

Kazan, Russia

Sunday, 30 August, 2015 to Friday, 4 September, 2015

Insight in the activity of UiO-66-NH2 for the aldol condensation

J. Hajek, M. Vandichel, F. Vermoortele, M. Waroquier, D. De Vos, V. Van Speybroeck

ISBN/ISSN:

Talk

Conference / event / venue

XVIth Netherlands' Catalysis and Chemistry Conference (NCCC XV)

Noordwijkerhout, The Netherlands

Monday, 2 March, 2015 to Wednesday, 4 March, 2015

Exploring new frontiers in modeling complex chemical transformations in nanoporous materials

V. Van Speybroeck

http://www.ipam.ucla.edu/abstract/?tid=12152&pcode=ML2015

ISBN/ISSN:

Invited talk

Conference / event / venue

Machine Learning for Many-Particle Systems

Los Angeles, CA, USA

Monday, 23 February, 2015 to Friday, 27 February, 2015

Molecular-level understanding of phase transformations and free energy profiles of flexible materials

A thermodynamic approach to efficient sampling of the unit cell shape for flexible crystals

Molecular Modeling of the Hydrolysis of Potent Implantable Drug Delivery Devices

Ab initio modeling of the 2-oxazoline polymerization

Ab initio modeling of strained heterocyclic compounds

Effect of defect coordinating species on the reactivity of Metal-Organic Frameworks (MOFs)

Translation of experimental conditions into model systems for methanol to olefins conversion in zeolitic materials

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