Molecular modeling of flavin ring plasticity: in-silico mutation of an Old Yellow Enzyme
Talk
Conference / event / venue
2nd Belgian Biophysical Society Young Scientist Day
Ghent, Belgium
Tuesday, 31 May, 2011
M. Waroquier
Investigation of Confinement Effects on Zeolite-Catalyzed Methylation Reactions
Abstract OC 059
Talk
Conference / event / venue
Ninth Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC)
Santiago de Compostela, Spain
Sunday, 17 July, 2011 to Friday, 22 July, 2011
First-principles study of radiation-induced radicals in solid-state amino-acids and sugars : confrontation of density-functional calculations with experimental results
Influence of low vibrational modes on Molecular Partition Functions and Derived Quantities from First Principles
Fri, 09/06/2006
Theoretical insights into the propagation techniques and defect formation of free radical polymerization
Thu, 31/05/2007
Development of an Accurate and Efficient Method for Normal Mode Analysis in Extended Molecular Systems: the Mobile Block Hessian method
Tue, 19/05/2009
Faculty of Engineering and Architecture, Jozef Plateaustraat, Ghent
Supervisors
Prof. Dr. Michel WaroquierA combined EMR and DFT study of radiation-induced effects in surcose and glucose 1-phosphate
Wed, 27/05/2009
Faculty of Engineering and Architecture, Jozef Plateaustraat, Ghent
Supervisors
Prof. Dr. Freddy Callens, Prof. Dr. Michel WaroquierA Computational Approach to the Free Radical Polymerization of Acrylates and Methacrylates (Joint PhD)
Mon, 25/10/2010
Faculty of Engineering and Architecture, Jozef Plateaustraat, Ghent
Michel Waroquier
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