Ab-initio study of Cr(CN)6 centers in NaCl crystals
Poster
Conference / event / venue
Comp.Chemistry Summer School
Essen, Germany
Tuesday, 22 September, 2009 to Friday, 25 September, 2009
V. Van Speybroeck
DFT insight into the mechanism towards the synthesis of the conjugated electroluminescent polymer PPV
Poster
Conference / event / venue
IAP-PAI P6/27 Annual Meeting
Leuven, Belgium
Monday, 14 December, 2009 to Tuesday, 15 December, 2009
Growth of naphthalenic HP species: influence of the CHA topology from a molecular modeling perspective
Poster
Conference / event / venue
Quantum Chemistry in Belgium 9th edition
Louvain-la-Neuve, Belgium
Tuesday, 26 January, 2010
Theoretical validation of a fully functional route to both ethene and propene formation for MTO conversion in H-ZSM-5
Poster
Conference / event / venue
Quantum Chemistry in Belgium 9th edition
Louvain-la-Neuve, Belgium
Tuesday, 26 January, 2010
Modelling of Lewis-Acid Catalyzed Ring Opening of Oxanorbornenes in the Synthesis of Azaheterocyclic Phosphonates
Poster
Conference / event / venue
Quantum Chemistry in Belgium 9th edition
Louvain-la-Neuve, Belgium
Tuesday, 26 January, 2010
Normal mode calculations with the QM/MM full Hessian and the Mobile Block Hessian (MBH) method
Poster
Conference / event / venue
Quantum Chemistry in Belgium 9th edition
Louvain-la-Neuve, Belgium
Tuesday, 26 January, 2010
Development of metal organic frameworks as heterogeneous catalysts
Poster
Conference / event / venue
XIth Netherlands' Catalysis and Chemistry Conference (NCCC XI)
Noordwijkerhout, The Netherlands
Monday, 1 March, 2010 to Wednesday, 3 March, 2010
Theoretical study of adsorption complexes in H-ZSM-5
Poster
Conference / event / venue
XIth Netherlands' Catalysis and Chemistry Conference (NCCC XI)
Noordwijkerhout, The Netherlands
Monday, 1 March, 2010 to Wednesday, 3 March, 2010
Theoretical elucidation of the reaction mechanism of methanol-to-olefin conversion in acidic zeolites
Poster
Conference / event / venue
Frontiers of Chemistry (P042)
Paris, France
Friday, 21 May, 2010
Modelling of the enthalpy of mixing for the development of new 'bulk metallic glasses' (BMG)
Poster
Conference / event / venue
OCAS PhD Day
Zelzate, Belgium
Thursday, 10 June, 2010
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