Research Explorer

Your browser does not support JavaScript or JavaScript is not enabled. Without JavaScript some functions of this webapplication may be disabled or cause error messages. To enable JavaScript, please consult the manual of your browser or contact your system administrator.

Project

Zeolite-induced shape-selectivity for waste-free, highly regioselective catalytic arylation or alkenylation of aromatic C-H bonds

Outputs & Impact

Publications & research data ( 6 )

A critical assessment on calculating vibrational spectra in nanostructured materials

Alexander HoffmanWim TemmermanEmma CampbellAlessandro Ali DaminInes Lezcano-GonzalezAndrew M. BealeSilvia BordigaJohan HofkensVeronique Van Speybroeck

A1 Journal Article in JOURNAL OF CHEMICAL THEORY AND COMPUTATION

Operando modeling of zeolite-catalyzed reactions using first-principles molecular dynamics simulations

Veronique Van SpeybroeckMassimo BocusPieter CnuddeLouis Vanduyfhuys

A1 Journal Article in ACS CATALYSIS

The role of phonons in switchable MOFs : a model material perspective

Alexander HoffmanIrena SenkovskaLeila AbylgazinaVolodymyr BonVeronika GrzimekAnna Maria DominicMargarita RussinaMarvin A. KraftInez WeidingerWolfgang G. Zeier et al.

A1 Journal Article in JOURNAL OF MATERIALS CHEMISTRY A

Towards state-of-the-art molecular simulations for an accurate modeling of intricate zeolite-catalyzed reactions

Massimo BocusVeronique Van Speybroeck

Challenges in modelling dynamic processes in realistic nanostructured materials at operating conditions

Veronique Van Speybroeck

A1 Journal Article in PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

A general synthesis of azetidines by copper-catalysed photoinduced anti-Baldwin radical cyclization of ynamides

Clément JacobHajar BaguiaAmaury DubartSamuel OgerPierre ThilmanyJérôme BeaudelotChristopher DeldaeleStefano PeruškoYohann LandrainBastien Michelet et al.

A1 Journal Article in NATURE COMMUNICATIONS

Activities ( 0 )

Results

Impact narratives ( 0 )

Patents ( 0 )