Show 10 5 10 15 20 50 100 250 Sort by year (new to old) Actions Download search results Subscribe to news feed Your filters: cql: keyword exact "FUNCTIONAL THEORY CALCULATIONS" Add to list Journal Article A1 Theoretical simulations elucidate the role of naphthalenic species during methanol conversion within H-SAPO-34 Karen Hemelsoet (UGent) , Arno Nollet (UGent) , Veronique Van Speybroeck (UGent) and Michel Waroquier (UGent) (2011) CHEMISTRY-A EUROPEAN JOURNAL. 17(33). p.9083-9093 Add to list Journal Article A1 open access Experimental and theoretical IR study of methanol and ethanol conversion over H-SAPO-34 Karen Hemelsoet (UGent) , An Ghysels (UGent) , Davide Mores, Kristof De Wispelaere (UGent) , Veronique Van Speybroeck (UGent) , Bert M Weckhuysen and Michel Waroquier (UGent) (2011) CATALYSIS TODAY. 177(1). p.12-24