ACKS2: Atom-Condensed Kohn-Sham nd DFT approximated to 2nd order T. Verstraelen, P.W. Ayers, V. Van Speybroeck, M. Waroquier ISBN/ISSN:Invited talkConference / event / venue Visit Konstantin SmirnovLille, FranceFriday, 18 January, 2013 Read more about ACKS2: Atom-Condensed Kohn-Sham nd DFT approximated to 2nd order
ACKS2: Atom-Condensed Kohn-Sham nd DFT approximated to 2nd order T. Verstraelen, P.W. Ayers, V. Van Speybroeck, M. Waroquier ISBN/ISSN:Invited talkConference / event / venue Visit Martin MüserJülich, GermanyMonday, 29 October, 2012 to Tuesday, 30 October, 2012 Read more about ACKS2: Atom-Condensed Kohn-Sham nd DFT approximated to 2nd order
DFT insight into the polymerization mechanism of conjugated electroluminescent polymer PPV J. Durdevic, S. Catak, A. Shimizu, B. Champagne, T. Junkers, D. Vanderzande, M. Waroquier, V. Van Speybroeck ISBN/ISSN:PosterConference / event / venue Structure-property relationships of molecular precursors to organic electronicsLausanne, SwitzerlandTuesday, 22 October, 2013 to Friday, 25 October, 2013 Read more about DFT insight into the polymerization mechanism of conjugated electroluminescent polymer PPV
Materials for Energy: The Role of Computational Materials Design K. Lejaeghere, K. Rijpstra, M. Sluydts, J. Jaeken, M. Waroquier, V. Van Speybroeck, S. Cottenier ISBN/ISSN:PosterConference / event / venue (presenting author K. Lejaeghere), Colloquium Physics and the Energy ChallengeBrussels, BelgiumSaturday, 20 April, 2013 Read more about Materials for Energy: The Role of Computational Materials Design
Kinetic and Mechanistic Study on the radical PPV polymerization via the Gilch route including diradical character of different monomers and dimers J. Durdevic, S. Catak, B. Champagne, T. Junkers, D. Vanderzande, M. Waroquier, V. Van Speybroeck ISBN/ISSN:TalkConference / event / venue Annual IAP MeetingGhent, BelgiumWednesday, 18 September, 2013 Read more about Kinetic and Mechanistic Study on the radical PPV polymerization via the Gilch route including diradical character of different monomers and dimers
A force field investigation of the influence of the metal on the breathing behaviour of MIL-53 type materials L. Vanduyfhuys, T. Verstraelen, D.E.P. Vanpoucke, M. Waroquier, V. Van Speybroeck -ISBN/ISSN: -PosterConference / event / venue Annual IAP MeetingGhent, BelgiumWednesday, 18 September, 2013 Read more about A force field investigation of the influence of the metal on the breathing behaviour of MIL-53 type materials
Functionalized Metal-Organic Frameworks: MIL-47(V)+X : a computational investigation of its properties D.E.P. Vanpoucke, S. Biswas, T. Verstraelen, M. Vandichel, S. Couck, K. Leus, Y-Y Liu, M. Waroquier, V. Van Speybroeck, J.F.M. Denayer, P. Van der Voort -ISBN/ISSN: -PosterConference / event / venue Annual IAP MeetingGhent, BelgiumWednesday, 18 September, 2013 Read more about Functionalized Metal-Organic Frameworks: MIL-47(V)+X : a computational investigation of its properties
ACKS2: Atom-condensed Kohn-Sham DFT approximated to 2nd order T. Verstraelen, P.W. Ayers, V. Van Speybroeck, M. Waroquier -ISBN/ISSN: -PosterConference / event / venue Annual IAP MeetingGhent, BelgiumWednesday, 18 September, 2013 Read more about ACKS2: Atom-condensed Kohn-Sham DFT approximated to 2nd order
Ab initio metadynamics study on the zeolite-catalyzed benzene methylation in ZSM-5 S.L. Moors, K. De Wispelaere, J. Van der Mynsbrugge, M. Waroquier, V. Van Speybroeck -ISBN/ISSN: -PosterConference / event / venue Annual IAP MeetingGhent, BelgiumWednesday, 18 September, 2013 Read more about Ab initio metadynamics study on the zeolite-catalyzed benzene methylation in ZSM-5
Detail insight in the catalytic activity of UiO-66 type materials M. Vandichel, J. Hajek, F. Vermoortele, M. Waroquier, D. De Vos, V. Van Speybroeck -ISBN/ISSN: -PosterConference / event / venue Annual IAP MeetingGhent, BelgiumWednesday, 18 September, 2013 Read more about Detail insight in the catalytic activity of UiO-66 type materials