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
11 - 20 of 60
- Charge transfer in polarizable force fields: importance of the electronic kinetic energy(2014)Volume: 247
Authors: Toon Verstraelen, Paul W Ayers, Veronique Van Speybroeck, Michel Waroquier
Number of pages: 1 - Extended Hirshfeld: atomic charges that combine accurate electrostatics with transferability(2014)
Authors: Toon Verstraelen, Paul W Ayers, Veronique Van Speybroeck, Michel Waroquier
Number of pages: 1 - Exploring the vibrational fingerprint of the electronic excitation energy via molecular dynamics(2014)
Authors: Andy Van Yperen-De Deyne, Thierry De Meyer, Ewald Pauwels, An Ghysels, Karen De Clerck, Michel Waroquier, Veronique Van Speybroeck, Karen Hemelsoet
- Origins of the solvent effect on the propagation kinetics of acrylic acid and methacrylic acid(2013)
Authors: Isa Degirmenci, Tugba Furuncuoglu Ozaltin, Ozlem Karahan, Veronique Van Speybroeck, Michel Waroquier, Viktorya Aviyente
Pages: 2024 - 2034 - trans effect and trans influence: importance of metal mediated ligand-ligand repulsion(2013)
Authors: Balazs Pinter, Veronique Van Speybroeck, Michel Waroquier, Paul Geerlings, Frank De Proft
Pages: 17354 - 17365 - Trans effect: withdrawing electrons from the reactive region(2012)
Authors: Balazs Pinter, Veronique Van Speybroeck, Michel Waroquier, Paul Geerlings, Frank De Proft
Pages: P28 - P28 - Free energy profile of 'breathing' flexible porous frameworks(2012)
Authors: An Ghysels, Veronique Van Speybroeck, Michel Waroquier, Berend Smit
Pages: P13 - P13 - Pragmatic band gap calculations as a 'sieve' for experimental tabulations(2012)
Authors: Daria M. Tomecka, Stefaan Cottenier, Veronique Van Speybroeck, Michel Waroquier
Pages: 13 - 13 - An REMD and QM/MM study into the sequence effect on asparagine deamidation(2012)
Authors: Ewald Pauwels, Samuel Moors, Jan Félix, Savvas Savvides, Michel Waroquier, Veronique Van Speybroeck, Saron Catak
Pages: 9 - 10 - Finding candidate materials for the first wall of fusion reactors by an inverse strategy(2012)
Authors: Kurt Lejaeghere, Stefaan Cottenier, Michel Waroquier, Veronique Van Speybroeck
Number of pages: 1