Researcher
Michel Waroquier
- Disciplines:Process engineering not elsewhere classified, Catalysis, Electronic (transport) properties
Affiliations
- Board of Governors/Executive Board (Administrative office)
Member
From1 Oct 2008 → 30 Sep 2012 - Department of Physics and astronomy (Department)
Member
From1 Oct 1992 → Today
Projects
1 - 1 of 1
- Role of solvent effects on the propagation kinetics in free radical polymerization reationsFrom1 Jan 2010 → 4 Mar 2013Funding: BOF - Bilateral scientific cooperation
Publications
31 - 40 of 60
- Hydrogen radical additions to unsaturated hydrocarbons and the reverse β-scission reactions: modeling of activation energies and pre-exponential factors(2010)
Authors: Maarten Sabbe, Marie-Françoise Reyniers, Michel Waroquier, Guy Marin
Pages: 195 - 210 - The electronegativity equalization method and the split charge equilibration applied to organic systems: parameterization, validation and comparison(2010)
Authors: Toon Verstraelen, Veronique Van Speybroeck, Michel Waroquier
Number of pages: 1 - DFT study on the propagation kinetics of free-radical polymerization of alphaU+2013substituted acrylates(2009)
Authors: Isa Degirmenci, Viktorya Aviyente, Veronique Van Speybroeck, Michel Waroquier
Pages: 3033 - 3041 - Theoretical insights on methylbenzene side-chain growth in ZSM-5 zeolites for methanol-to-olefin conversion(2009)
Authors: David Lesthaeghe, Annelies Horré, Michel Waroquier, Guy Marin, Veronique Van Speybroeck
Pages: 10803 - 10808 - Resonance stabilization during the group additive modeling of the kinetics of hydrogen abstraction from hydrocarbons(2009)
Authors: Maarten Sabbe, Aäron Vandeputte, Marie-Françoise Reyniers, Michel Waroquier, Guy Marin
Number of pages: 1 - Identification of the driving forces in methanol-to-olefin conversion by modeling the zeolite cage and contents(2009)
Authors: David Lesthaeghe, Veronique Van Speybroeck, Michel Waroquier
Pages: 238 - 238 - Theoretical evaluation of zeolite confinement effects on the reactivity of bulky intermediates(2009)
Authors: David Lesthaeghe, Veronique Van Speybroeck, Michel Waroquier
Pages: 5222 - 5226 - Theoretical identification of the interactions between the zeolite framework and the hydrocarbon pool co-catalyst in methanol-to-olefin conversion(2009)
Authors: David Lesthaeghe, Veronique Van Speybroeck, Michel Waroquier
Pages: 167 - Reversibility from DFT-based reactivity indices: intramolecular side reactions in the polymerization of poly(vinyl chloride)(2009)
Authors: Freija De Vleeschouwer, Alejandro Toro-Labbé, Soledad Gutiérrez-Oliva, Veronique Van Speybroeck, Michel Waroquier, Paul Geerlings, Frank De Proft
Pages: 7899 - 7908 - Radiation-Induced Radicals in Glucose-1-phosphate. I. Electron Paramagnetic Resonance and Electron Nuclear Double Resonance Analysis of in situ X-Irradiated Single Crystals at 77 K(2008)
Authors: Hendrik De Cooman, Gauthier Vanhaelewyn, Ewald Pauwels, E SAGSTUEN, Michel Waroquier, Freddy Callens
Pages: 15045 - 15053