Empty host breathing profiles of MIL-53 type frameworks with various cations at the nodal points L. Vanduyfhuys, T. Verstraelen, M. Vandichel, A. Ghysels, M. Waroquier, V. Van Speybroeck PosterConference / event / venue MOF2012Edinburgh UKSunday, 16 September, 2012 to Wednesday, 19 September, 2012 Read more about Empty host breathing profiles of MIL-53 type frameworks with various cations at the nodal points
Immobilization of a homogeneous enantioselective catalysts on a large pore Metal-Organic Framework Y. Aelbrecht, T. Bogaerts, M. Vandichel, K. Hemelsoet, P. Van der Voort, V. Van Speybroeck p.ISBN/ISSN:PosterConference / event / venue NCCC XIVNoordwijkerhout, The NetherlandsMonday, 11 March, 2013 to Wednesday, 13 March, 2013 Read more about Immobilization of a homogeneous enantioselective catalysts on a large pore Metal-Organic Framework
Derivation of generic force field terms & Applications to describe thermodynamics of nanoporous materials L. Vanduyfhuys, A. Ghysels, T. Verstraelen, M. Vandichel, M. Waroquier, V. Van Speybroeck TalkConference / event / venue IAP P7/05 Platform 3 meetingNamur, BelgiumThursday, 10 January, 2013 Read more about Derivation of generic force field terms & Applications to describe thermodynamics of nanoporous materials
Ab-initio prediction of thermoelastic properties of (exo-)planetary inner cores: working plan J. Jaeken, A. Rivoldini, T. Van Hoolst, V. Van Speybroeck, M. Waroquier, S. Cottenier PosterConference / event / venue New insights on metals under extreme conditionsParis, FranceThursday, 13 December, 2012 to Saturday, 15 December, 2012 Read more about Ab-initio prediction of thermoelastic properties of (exo-)planetary inner cores: working plan
DFT calculations on Aziridines within the supermolecule approach H. Goossens, S. Catak, S. Stankovic, M. D'Hooghe, N. De Kimpe, M. Waroquier, V. Van Speybroeck PosterConference / event / venue MolSim-2013Amsterdam, The NetherlandsMonday, 7 January, 2013 to Friday, 18 January, 2013 Read more about DFT calculations on Aziridines within the supermolecule approach
Finding candidate materials for the first wall of fusion reactors by an inverse strategy K. Lejaeghere, S. Cottenier, M. Waroquier, V. Van Speybroeck p. RR 9.04ISBN/ISSN:Invited talkConference / event / venue (presenting author S. Cottenier) MRS Fall MeetingBoston, USASunday, 25 November, 2012 to Friday, 30 November, 2012 Read more about Finding candidate materials for the first wall of fusion reactors by an inverse strategy
Theorethical thermochemistry of Po interacting with LBE and filter materials K. Rijpstra, A. Van Yperen-De Deyne, M. Waroquier, S. Cottenier, V. Van Speybroeck ISBN/ISSN:TalkConference / event / venue 11th International Workshop on Spallation Materials TechnologyGent, BelgiumMonday, 5 November, 2012 to Friday, 9 November, 2012 Read more about Theorethical thermochemistry of Po interacting with LBE and filter materials
The ground state elemental crystals as a benchmark for solid state DFT: intrinsic accuracy and code comparison K. Lejaeghere, G. Van Oost, V. Van Speybroeck, S. Cottenier p. 59TalkConference / event / venue (presenting author S. Cottenier) Ab initio Description of Iron and Steel: Thermodynamics and Kinetics (ADIS 2012)Ringberg Castle (Tegernsee, Germany)Sunday, 29 April, 2012 to Friday, 4 May, 2012 Read more about The ground state elemental crystals as a benchmark for solid state DFT: intrinsic accuracy and code comparison
A new series of V IV based metal-organic frameworks having framework flexibility and high CO2 adsorption capacity Y-Y Liu, S. Couck, M. Vandichel, M. Grzywa, K. Leus, S. Biswas, D. Volkmer, J. Gascon, F. Kapteijn, J.F.M. Denayer, M. Waroquier, V. Van Speybroeck, P. Van der Voort p.ISBN/ISSN:PosterConference / event / venue MOF2012Edinburgh UKSunday, 16 September, 2012 to Wednesday, 19 September, 2012 Read more about A new series of V IV based metal-organic frameworks having framework flexibility and high CO2 adsorption capacity
Synthesis, characterization, adsorption and catalytic properties of an amino functionalized Metal-Organic Framework: NH2-MIL-47 K. Leus, S. Couck, T. Bogaerts, M. Vandichel, Y-Y Liu, M. Waroquier, V. Van Speybroeck, J.F.M. Denayer, P. Van der Voort p.ISBN/ISSN:PosterConference / event / venue MOF2012Edinburgh UKSunday, 16 September, 2012 to Wednesday, 19 September, 2012 Read more about Synthesis, characterization, adsorption and catalytic properties of an amino functionalized Metal-Organic Framework: NH2-MIL-47