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: parent exact "MOLECULAR SIMULATION" Add to list Journal Article A1 open access Semi-analytical mean-field model for predicting breathing in metal–organic frameworks Louis Vanduyfhuys (UGent) , An Ghysels (UGent) , Sven Rogge (UGent) , Ruben Demuynck and Veronique Van Speybroeck (UGent) (2015) MOLECULAR SIMULATION. 41(16-17). p.1311-1328 Add to list Journal Article A1 Using elementary reactions to model growth processes of polyaromatic hydrocarbons under pyrolysis conditions of light feedstocks Karen Hemelsoet (UGent) , Veronique Van Speybroeck (UGent) , Kevin Van Geem (UGent) , Guy Marin (UGent) and Michel Waroquier (UGent) (2008) MOLECULAR SIMULATION. 34(2). p.193-199 Add to list Journal Article A1 Modeling elementary reactions in coke formation from first principles Veronique Van Speybroeck (UGent) , Karen Hemelsoet (UGent) , Bert Minner (UGent) , Guy Marin (UGent) and Michel Waroquier (UGent) (2007) MOLECULAR SIMULATION. 33(9-10). p.879-887