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
41 - 50 of 60
- Radiation-Induced Radicals in Glucose-1-phosphate. II. DFT Analysis of Structures and Possible Formation Mechanisms(2008)
Authors: Ewald Pauwels, Hendrik De Cooman, Gauthier Vanhaelewyn, E SAGSTUEN, Freddy Callens, Michel Waroquier
Pages: 15054 - 15063 - Effect of temperature on the EPR properties of a rhamnose alkoxy radical: A DFT molecular dynamics study(2008)
Authors: Ewald Pauwels, Toon Verstraelen, Michel Waroquier
Pages: 1388 - 1394 - Calculating reaction rates with partial Hessians: Validation of the mobile block Hessian approach(2008)
Authors: An Ghysels, Veronique Van Speybroeck, Toon Verstraelen, Dimitri Van Neck, Michel Waroquier
Pages: 614 - 625 - Molecular environment and temperature dependence of hyperfine interactions in sugar crystal radicals from first principles(2008)
Authors: Reinout Declerck, Ewald Pauwels, Veronique Van Speybroeck, Michel Waroquier
Pages: 1508 - 1514 - Temperature study of a glycine radical in the solid state adopting a DFT periodic approach: Vibrational analysis and comparison with EPR experiments(2008)
Authors: Ewald Pauwels, Toon Verstraelen, Hendrik De Cooman, Veronique Van Speybroeck, Michel Waroquier
Pages: 7618 - 7630 - A complete catalytic cycle for supramolecular methanol-to-olefins conversion by linking theory with experiment(2008)
Authors: DM MCCANN, David Lesthaeghe, PW KLETNIEKS, DR GUENTHER, MJ HAYMAN, Veronique Van Speybroeck, Michel Waroquier, JF HAW
Pages: 5179 - 5182 - Schonland ambiguity in the electron nuclear double resonance analysis of hyperfine interactions: Principles and practice(2008)
Authors: Henk Vrielinck, Hendrik De Cooman, Mihaela Adeluta Tarpan, E SAGSTUEN, Michel Waroquier, F CALLERS
Pages: 196 - 205 - ZEOBUILDER: A GUI toolkit for the construction of complex molecular structures on the nanoscale with building blocks(2008)
Authors: Toon Verstraelen, Veronique Van Speybroeck, Michel Waroquier
Pages: 1530 - 1541 - Searching for an ideal source of methyl groups for olefin synthesis in an MTO-like setting(2008)
Authors: Sebastien Malengreaux, David Lesthaeghe, Veronique Van Speybroeck, Michel Waroquier
Number of pages: 1 - Identification and conformational study of stable radiation-induced defects in sucrose single crystals using density functional theory calculations of electron magnetic resonance parameters(2008)
Authors: Hendrik De Cooman, Ewald Pauwels, Henk Vrielinck, E SAGSTUEN, Freddy Callens, Michel Waroquier
Pages: 7298 - 7307