Ab initio investigation of chalcogen doped alkali halides
Poster
Conference / event / venue
DFT2005
Geneva, Switzerland
Sunday, 11 September, 2005 to Thursday, 15 September, 2005
M. Waroquier
An extended hindered rotor model involving Coriolis and vibrational-rotational coupling
Poster
Conference / event / venue
DFT2005
Geneva, Switzerland
Sunday, 11 September, 2005 to Thursday, 15 September, 2005
An Evaluation of the Level of Theory on DFT-based Reactivity Descriptors
Poster
Conference / event / venue
DFT2005
Geneva, Switzerland
Sunday, 11 September, 2005 to Thursday, 15 September, 2005
Extensive DFT study on the failure of direct mechanisms in the zeolite-catalyzed MTO process
Poster
Conference / event / venue
DFT2005
Geneva, Switzerland
Sunday, 11 September, 2005 to Thursday, 15 September, 2005
Identification of radiation-induced radicals in crystalline sugars: comparing ab-initio calculations with magnetic resonance experiments
Poster
Conference / event / venue
Quantum Chemistry in Belgium VII
Mons, Belgium
Friday, 27 January, 2006
Role of the zeolite framework on elementary reactions in the hydrocarbon pool model for the MTO process
Poster
Conference / event / venue
VIIth Netherlands' Catalysis and Chemistry Conference (NCCC VII)
Noordwijkerhout, The Netherlands
Monday, 6 March, 2006 to Wednesday, 8 March, 2006
Understanding the failure of direct C-C coupling in the zeolite-catalyzed methanol-to-olefin process
Poster
Conference / event / venue
VIIth Netherlands' Catalysis and Chemistry Conference (NCCC VII)
Noordwijkerhout, The Netherlands
Monday, 6 March, 2006 to Wednesday, 8 March, 2006
Ab initio Study of Polymer Propagation Reactions
Poster
Conference / event / venue
Chemical Reactivity
Brussels, Belgium
Wednesday, 5 April, 2006 to Friday, 7 April, 2006
Understanding the failure of direct C-C coupling in the zeolite-catalyzed methanol-to-olefin process
Poster
Conference / event / venue
Chemical Reactivity
Brussels, Belgium
Wednesday, 5 April, 2006 to Friday, 7 April, 2006
Theoretical study on the effect of methylene functionalization in zeolites
Poster
Conference / event / venue
11th International Conference on Theoretical Aspects of Catalysis
Berlin, Germany
Sunday, 11 June, 2006 to Wednesday, 14 June, 2006
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