First Principle Simulations Of Reactions In Organic Solvents
Talk
Conference / event / venue
AIChE's 2007 Annual Meeting
Salt Lake City, Utah, US
Sunday, 4 November, 2007 to Friday, 9 November, 2007
V. Van Speybroeck
Ab initio reaction kinetics : Use of internal hindered rotors
Invited talk
Conference / event / venue
Combustion Chemistry Centre, National University of Galway
Galway, Ireland
Monday, 11 February, 2008 to Tuesday, 12 February, 2008
Formation mechanisms for new zeolite materials from a molecular modeling perspective
Talk
Conference / event / venue
IXth Netherlands' Chemistry and Catalysis Conference (NCCC IX)
Noordwijkerhout, The Netherlands
Monday, 3 March, 2008 to Wednesday, 5 March, 2008
The Formation of Trans-Fused Macrocycles from N(3),N’(3)-Polymethylenebishydantoins Using Second-Generation Grubbs’ Catalyst
Talk
Conference / event / venue
IXth Netherlands' Chemistry and Catalysis Conference (NCCC IX)
Noordwijkerhout, The Netherlands
Monday, 3 March, 2008 to Wednesday, 5 March, 2008
First principle chemical kinetics: From isolated molecules to supramolecular systems
Invited talk
Conference / event / venue
Eurokin’s 10th Anniversary meeting
Lyon, France
Monday, 19 May, 2008 to Tuesday, 20 May, 2008
On the structures and Reactivity of Cationic Rhodium Monodendate Phosphoramidites for hydrogenation of olefins
Invited talk
DSM, Geleen, The Netherlands
Tuesday, 5 August, 2008
On the development of a partial vibrational analysis within a QM/MM approach
Talk
Conference / event / venue
3rd CMM 'Users Meet Developers' Workshop on QM/MM Simulations
Philadelphia, Pennsylvania, US
Thursday, 21 August, 2008 to Saturday, 23 August, 2008
Research activities CMM
Invited talk
Jülich Forschungszentrum, Jülich, Germany
Friday, 29 August, 2008
First principle chemical kinetics : From gas phase to supramolecular systems
Invited talk
Conference / event / venue
WATOC2008
Sydney, Australia
Sunday, 14 September, 2008 to Friday, 19 September, 2008
The methanol to olefin process from theoretical perspective
Invited talk
Conference / event / venue
ESEP European Symposium 2008, Advanced Materials
Exxon Mobil, Belgium
Wednesday, 17 December, 2008
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