The superacid that can keep our air superclean L. Joos, S. Heylen, V. Van Speybroeck, C. Kirschhock, J.A. Martens ISBN/ISSN:TalkConference / event / venue TEDxGhentGentSaturday, 22 June, 2013 Read more about The superacid that can keep our air superclean
Design of enantioselective catalysts in MOF architectures: a combined computational and experimental approach T. Bogaerts, M. Vandichel, Y-Y Liu, M. Waroquier, V. Van Speybroeck, P. Van der Voort ISBN/ISSN:TalkConference / event / venue Congress on Catalysis Applied to. Fine ChemicalsTurku FinlandSunday, 16 June, 2013 to Wednesday, 19 June, 2013 Read more about Design of enantioselective catalysts in MOF architectures: a combined computational and experimental approach
Characterization of Methanol-to-Olefin Intermediates in Chabazite Zeolites using in-situ UV/Vis Microspectroscopy combined with Ab Initio Simulations K. Hemelsoet, Q. Qian, K. De Wispelaere, T. De Meyer, A. Van Yperen-De Deyne, M. Waroquier, B.M. Weckhuysen, V. Van Speybroeck ISBN/ISSN:TalkConference / event / venue XIth European Congress on CatalysisLyon - FranceSunday, 1 September, 2013 to Friday, 6 September, 2013 Read more about Characterization of Methanol-to-Olefin Intermediates in Chabazite Zeolites using in-situ UV/Vis Microspectroscopy combined with Ab Initio Simulations
UV/Vis Spectra of Carbonaceous Methanol-to-Olefins Intermediates using TD-DFT combined with Molecular Dynamics K. Hemelsoet, K. De Wispelaere, T. De Meyer, A. Van Yperen-De Deyne, M. Waroquier, V. Van Speybroeck, Q. Qian, B.M. Weckhuysen ISBN/ISSN:TalkConference / event / venue TD-DFT ConferenceNantes, FranceTuesday, 23 April, 2013 to Friday, 26 April, 2013 Read more about UV/Vis Spectra of Carbonaceous Methanol-to-Olefins Intermediates using TD-DFT combined with Molecular Dynamics
pH-sensitive dyes in aqueous solution T. De Meyer, K. Hemelsoet, A. Van Yperen-De Deyne, K. De Clerck, V. Van Speybroeck 48ISBN/ISSN:PosterConference / event / venue Time Dependent - Density Functional Theory conferenceNantes, FranceTuesday, 23 April, 2013 to Friday, 26 April, 2013 Read more about pH-sensitive dyes in aqueous solution
Calculating Hirshfeld-I charges in solids: Implementation, pitfalls and applications D.E.P. Vanpoucke, S. Van Damme, S. Cottenier, P. Bultinck, I. Van Driessche, V. Van Speybroeck CMN4ISBN/ISSN:TalkConference / event / venue Belgian Physical Society MeetingLouvain-la-neuve, BelgiumWednesday, 22 May, 2013 Read more about Calculating Hirshfeld-I charges in solids: Implementation, pitfalls and applications
Theoretical 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 Semi-annual SEARCH progress meetingPula, Sardinia, ItalyMonday, 6 May, 2013 to Wednesday, 8 May, 2013 Read more about Theoretical thermochemistry of Po interacting with LBE and filter materials
Vibrational Fingerprint of Spectroscopic Properties A. Van Yperen-De Deyne, T. De Meyer, A. Ghysels, K. Hemelsoet, E. Pauwels, V. Van Speybroeck, M. Waroquier ISBN/ISSN:PosterConference / event / venue TD-DFTNantesTuesday, 23 April, 2013 to Friday, 26 April, 2013 Read more about Vibrational Fingerprint of Spectroscopic Properties
Interaction of W and Mo with vacancy defects in bcc Fe studied by ab initio methods D. Terentyev, A. Bakaev, G. Bonny, V. Van Speybroeck ISBN/ISSN:TalkConference / event / venue EMRS 2011 Spring MeetingNice, FranceMonday, 9 May, 2011 to Friday, 13 May, 2011 Read more about Interaction of W and Mo with vacancy defects in bcc Fe studied by ab initio methods
Unraveling the Reaction Mechanism of Methanol Conversion: the Synergy between Extended Cluster Models and Molecular Dynamics K. De Wispelaere, K. Hemelsoet, S.L. Moors, J. Van der Mynsbrugge, M. Waroquier, V. Van Speybroeck p. 10ISBN/ISSN:PosterConference / event / venue 23rd North American Catalysis Society Meeting (NAM23)Louisville, Kentucky, USASunday, 2 June, 2013 to Friday, 7 June, 2013 Read more about Unraveling the Reaction Mechanism of Methanol Conversion: the Synergy between Extended Cluster Models and Molecular Dynamics