Show 20 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 "SET MODEL CHEMISTRY" Add to list Journal Article A1 open access Ab initio group additive values for thermodynamic carbenium ion property prediction Yannick Ureel (UGent) , Florence Vermeire (UGent) , Maarten Sabbe (UGent) and Kevin Van Geem (UGent) (2023) INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH. 62(1). p.223-237 Add to list Journal Article A1 Pressure dependent kinetic analysis of pathways to naphthalene from cyclopentadienyl recombination Alan Long, Shamel Merchant, Aaron Vandeputte, Hans-Heinrich Carstensen (UGent) , Alexander Vervust (UGent) , Guy Marin (UGent) , Kevin Van Geem (UGent) and William Green (2018) COMBUSTION AND FLAME. 187. p.247-256 Add to list Journal Article A1 First principle-based simulation of ethane steam cracking Maarten Sabbe (UGent) , Kevin Van Geem (UGent) , Marie-Françoise Reyniers (UGent) and Guy Marin (UGent) (2011) AICHE JOURNAL. 57(2). p.482-496 Add to list Journal Article A1 Ab initio calculations for hydrocarbons : enthalpy of formation, transition state geometry, and activation energy for radical reactions Mark Saeys (UGent) , Marie-Françoise Reyniers (UGent) , Guy Marin (UGent) , Veronique Van Speybroeck (UGent) and Michel Waroquier (UGent) (2003) JOURNAL OF PHYSICAL CHEMISTRY A. 107(43). p.9147-9159