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 "density-functional theory" cql: author exact 801001865689 or (type exact bookEditor and editor exact 801001865689) Add to list Journal Article A1 Normal mode analysis in zeolites: toward an efficient calculation of adsorption entropies Bart De Moor (UGent) , An Ghysels (UGent) , Marie-Françoise Reyniers (UGent) , Veronique Van Speybroeck (UGent) , Michel Waroquier (UGent) and Guy Marin (UGent) (2011) JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 7(4). p.1090-1101 Add to list Journal Article A1 Physisorption and chemisorption of alkanes and alkenes in H-FAU: a combined ab initio – statistical thermodynamics study Bart De Moor (UGent) , Marie-Françoise Reyniers (UGent) and Guy Marin (UGent) (2009) PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 11(16). p.2939-2958