V. Van Speybroeck

Invloed van flexibiliteit op de adsorptie-isothermen van methanol en methanol-water mengels in nanoporeuze materialen

The Jahn-Teller effect in MOF’s: breaking symmetry for increased stability

Ab initio Studie naar de invloed van water op de methanolconversie in H-SAPO-34

Molecular dynamics kinetic study on the zeolite-catalyzed methanol conversion process

K. De Wispelaere, S.L. Moors, B. Ensing, K. Hemelsoet, E.J. Meijer, M. Waroquier, V. Van Speybroeck

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Talk

Conference / event / venue

15th Int. Conference of Theoretical Aspects of Catalysis (ICTAC-15)

London, United Kingdom

Monday, 30 June, 2014 to Friday, 4 July, 2014

Selective Catalytic Reduction of NOx by ammonia: Adsorption of NO on Cu-SSZ-13 using Ab initio simulations

T. Van Den Heede, K. De Wispelaere, J. Van der Mynsbrugge, I. Lezcano-Gonzalez, A. Baele, B.M. Weckhuysen, V. Van Speybroeck, K. Hemelsoet

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Poster

Conference / event / venue

XVth Netherlands' Catalysis and Chemistry Conference (NCCC XV)

Noordwijkerhout, The Netherlands

Monday, 10 March, 2014 to Wednesday, 12 March, 2014

Computational CO2 capture from first principles

Metal-free oxidation catalysts in covalent organic frameworks

Ab initio studie naar de adsorptie en dimerisatie van C5-alkenen in Brønstedzure zeolieten

Dynamische ab initio studie naar de invloed van de zuursterkte op MTO-conversie in H-SAPO-5 en H-SSZ-24

High-throughput Pareto-zoektocht naar hoogperformante metaal-organische roosters

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