Ghent University Academic Bibliography

The Abinit project : impact, environment and recent developments

Xavier Gonze, Bernard Amadon, Gabriel Antonius, Frédéric Arnardi, Lucas Baguet, Jean-Michel Beuken, Jordan Bieder, François Bottin, Johann Bouchet, Eric Bousquet, et al.

(2020) COMPUTER PHYSICS COMMUNICATIONS. 248.

Add to list

Journal Article
A1
open access

How chain length and branching influence the alkene cracking reactivity on H-ZSM-5

Pieter Cnudde (UGent) , Kristof De Wispelaere (UGent) , Louis Vanduyfhuys (UGent) , Ruben Demuynck, Jeroen Van der Mynsbrugge (UGent) , Michel Waroquier (UGent) and Veronique Van Speybroeck (UGent)

(2018) ACS CATALYSIS. 8(10). p.9579-9595

Add to list

Journal Article
A1
open access

Influence of a confined methanol solvent on the reactivity of active sites in UiO-66

Chiara Caratelli, Julianna Hajek (UGent) , Sven Rogge (UGent) , Steven Vandenbrande (UGent) , Evert Jan Meijer, Michel Waroquier (UGent) and Veronique Van Speybroeck (UGent)

(2018) CHEMPHYSCHEM. 19(4). p.420-429

Add to list

Flexible ligand based lanthanide three-dimensional metal-organic frameworks with tunable solid-state photoluminescence and OH-solvent-sensing properties

Germán Gomez, Elena Brusau, Anna Kaczmarek (UGent) , Caroline Mellot-Draznieks, Joaquín Sacanell, Gwenaelle Rousse, Rik Van Deun (UGent) , Clément Sanchez, Griselda Narda and Galo Soler Illia

(2017) EUROPEAN JOURNAL OF INORGANIC CHEMISTRY. p.2321-2331

Add to list

First Principle study on the adsorption of hydrocarbon chains involved in fischer-tropsch synthesis over iron carbides

José Guillermo Rivera de la Cruz, Maarten Sabbe (UGent) and Marie-Françoise Reyniers (UGent)

(2017) JOURNAL OF PHYSICAL CHEMISTRY C. 121(45). p.25052-25063

Add to list

Ab initio coverage-dependent microkinetic modeling of benzene hydrogenation on Pd(111)

Maarten Sabbe (UGent) , Gonzalo Canduela-Rodriguez, Jean-François Joly, Marie-Françoise Reyniers (UGent) and Guy Marin (UGent)

(2017) CATALYSIS SCIENCE & TECHNOLOGY. 7(22). p.5267-5283

Add to list

Journal Article
A1
open access

Effect of temperature and branching on the nature and stability of alkene cracking intermediates in H-ZSM-5

Pieter Cnudde (UGent) , Kristof De Wispelaere (UGent) , Jeroen Van der Mynsbrugge (UGent) , Michel Waroquier (UGent) and Veronique Van Speybroeck (UGent)

(2017) JOURNAL OF CATALYSIS. 345. p.53-69

Add to list

DFT-based microkinetic modeling of ethanol dehydration in H-ZSM-5

Konstantinos Alexopoulos (UGent) , Mathew John (UGent) , Kristof Van der Borght (UGent) , Vladimir Galvita (UGent) , Marie-Françoise Reyniers (UGent) and Guy Marin (UGent)

(2016) JOURNAL OF CATALYSIS. 339. p.173-185

Add to list

Journal Article
A1
open access

Reproducibility in density functional theory calculations of solids

Kurt Lejaeghere (UGent) , G Bihlmayer, T Bjorkman, P Blaha, S Blugel, V Blum, D Caliste, IE Castelli, SJ Clark, A Dal Corso, et al.

(2016) SCIENCE. 351(6280). p.1415-U81

Add to list

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

Academic Bibliography

The Abinit project : impact, environment and recent developments

How chain length and branching influence the alkene cracking reactivity on H-ZSM-5

Influence of a confined methanol solvent on the reactivity of active sites in UiO-66

Flexible ligand based lanthanide three-dimensional metal-organic frameworks with tunable solid-state photoluminescence and OH-solvent-sensing properties

First Principle study on the adsorption of hydrocarbon chains involved in fischer-tropsch synthesis over iron carbides

Ab initio coverage-dependent microkinetic modeling of benzene hydrogenation on Pd(111)

Effect of temperature and branching on the nature and stability of alkene cracking intermediates in H-ZSM-5

DFT-based microkinetic modeling of ethanol dehydration in H-ZSM-5

Reproducibility in density functional theory calculations of solids

First-principles study of antisite defect configurations in ZnGa2O4:Cr persistent phosphors

Contents

Support

Contact