Kinetics of 1-hexene isomerization with methane sulphonic acid from first principles
Invited talk
Conference / event / venue
Eurokin meeting
Terneuzen, The Netherlands
Monday, 25 November, 2002
V. Van Speybroeck
Free radical polymerizations: kinetic parameters in terms of the length of the polymer chain (Invited)
Talk
Conference / event / venue
Symposium 'Simulation approaches for investigating the reaction mechanisms and properties of polymers'
Namur, Belgium
Monday, 16 June, 2003
Study of radical defects in crystalline lattices from first principles molecular dynamics simulations
Talk
Conference / event / venue
DFT2003 conference: "The applications of Density Functional Theory in Chemistry and Physics
Brussels (Belgium)
Sunday, 7 September, 2003 to Friday, 12 September, 2003
The Car-Parrinello molecular dynamics method and its ability to discover new reaction pathways
Talk
Conference / event / venue
Graduate Course on Theoretical Chemistry and Spectroscopy
Han-sur-Lesse, Belgium
Monday, 8 December, 2003 to Friday, 12 December, 2003
Zeobuilder: A GUI-toolkit with building algorithms for the construction of complex zeolite models
Talk
Conference / event / venue
3rd EFCATS School of Catalysis
Ustron, Poland
Tuesday, 21 September, 2004 to Sunday, 26 September, 2004
Ab initio study on the chemical properties and possible applications of organic functionalized zeolites
Talk
Conference / event / venue
3rd EFCATS School of Catalysis
Ustron, Poland
Tuesday, 21 September, 2004 to Sunday, 26 September, 2004
Zeobuilder: A GUI-toolkit with building algorithms for the construction of complex zeolite models
Invited talk
Friday lecture at EMAT, Antwerp, Belgium
Thursday, 30 September, 2004
Reactivity Indicators within Density Functional Theory
Talk
Conference / event / venue
School of Chemistry
University of Sydney, Australia
Wednesday, 9 February, 2005
Exploring the possibilities of organic-functionalized zeolites through ab initio calculations
Talk
Conference / event / venue
WOG Contactforum: The active site - from catalyst to reactor
Brussels (Belgium)
Thursday, 19 May, 2005 to Friday, 20 May, 2005
Identification of radiation-induced radicals in crystalline sugars: confronting ab-initio calculations with magnetic resonance experiment
Talk
Conference / event / venue
9th International workshop on Electron Magnetic Resonance of Disordered Systems (EMARDIS)
Sofia, Bulgaria
Wednesday, 8 June, 2005 to Wednesday, 15 June, 2005
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