Show 10 5 10 15 20 50 100 250 Sort by year (new to old) Actions News feed Embed this list Save this search Mark all Export Your filters: cql: parent exact "Theory and Applications of Computational Chemistry, Abstracts" Mark conference C3 open access DFT calculations on aziridines within the supermolecule approach Hannelore Goossens (UGent) , Saron Catak (UGent) , Sonja Stanković (UGent) , Matthias D'hooghe (UGent) , Norbert De Kimpe (UGent) , Michel Waroquier (UGent) and Veronique Van Speybroeck (UGent) (2012) Theory and Applications of Computational Chemistry, Abstracts. Mark conference C3 open access Computation of chemical kinetics: olefin producing reaction routes during methanol conversion as a case study Kristof De Wispelaere (UGent) , Karen Hemelsoet (UGent) , Michel Waroquier (UGent) and Veronique Van Speybroeck (UGent) (2012) Theory and Applications of Computational Chemistry, Abstracts.