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: author exact 044E0F04-F0EE-11E1-A9DE-61C894A0A6B4 or (type any "bookEditor journalEditor issueEdi... cql: keyword exact "extending hirshfeld-i" Add to list Journal Article A1 How to verify the precision of density-functional-theory implementations via reproducible and universal workflows Emanuele Bosoni, Louis Beal, Marnik Bercx, Peter Blaha, Stefan Bluegel, Jens Broeder, Martin Callsen (UGent) , Stefaan Cottenier (UGent) , Augustin Degomme, Vladimir Dikan, et al. (2024) NATURE REVIEWS PHYSICS. 6. p.45-58 Add to list Journal Article A1 First-principles study of antisite defect configurations in ZnGa2O4:Cr persistent phosphors Arthur De Vos, Kurt Lejaeghere (UGent) , Danny Vanpoucke (UGent) , Jonas Joos (UGent) , Philippe Smet (UGent) and Karen Hemelsoet (UGent) (2016) INORGANIC CHEMISTRY. 55(5). p.2402-2412 Add to list Journal Article A1 Understanding intrinsic light absorption properties of UiO-66 frameworks: a combined theoretical and experimental study Kevin Hendrickx (UGent) , Danny Vanpoucke (UGent) , Karen Leus (UGent) , Kurt Lejaeghere (UGent) , Andy Van Yperen-De Deyne (UGent) , Veronique Van Speybroeck (UGent) , Pascal Van Der Voort (UGent) and Karen Hemelsoet (UGent) (2015) INORGANIC CHEMISTRY. 54(22). p.10701-10710 Add to list Journal Article A1 open access Quasi-1D physics in metal-organic frameworks : MIL-47(V) from first principles Danny Vanpoucke (UGent) , Jan Jaeken (UGent) , Stijn De Baerdemacker (UGent) , Kurt Lejaeghere (UGent) and Veronique Van Speybroeck (UGent) (2014) BEILSTEIN JOURNAL OF NANOTECHNOLOGY. 5. p.1738-1748