K. Hemelsoet

Static and dynamic study of alkene cracking intermediates in H-ZSM-5

P. Cnudde, J. Van der Mynsbrugge, K. De Wispelaere, K. Hemelsoet, M. Waroquier, V. Van Speybroeck

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Poster

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9th International Conference on Chemical Kinetics (ICCK 2015)

Ghent, Belgium

Sunday, 28 June, 2015 to Thursday, 2 July, 2015

The vibrational fingerprint of the electronic excitation energy of molecular systems via molecular dynamics

A. Van Yperen-De Deyne, T. De Meyer, A. Ghysels, E. Pauwels, M. Waroquier, V. Van Speybroeck, K. Hemelsoet

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Poster

Conference / event / venue

Next generation quantum based molecular dy-namics: challenges and perspectives

Bremen, Germany

Monday, 13 July, 2015 to Friday, 17 July, 2015

Advanced Molecular Simulations of Reaction Mechanisms and Complex Reaction Environments in the Methanol to Olefins Process

K. De Wispelaere

Fri, 29/05/2015

Faculty of Engineering and Architecture, Jozef Plateaustraat, Ghent

http://hdl.handle.net/1854/LU-6855146

Supervisors

Prof. Dr. ir. Veronique Van Speybroeck

Selective Catalytic Reduction of NOx: nature and location of Cu in CuSSZ-13 using Molecular Dynamics

B. Vernimmen, J. Van der Mynsbrugge, A. Van Yperen-De Deyne, K. Hemelsoet

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Poster

Conference / event / venue

XVIth Netherlands' Catalysis and Chemistry Conference (NCCC XVI)

Noordwijkerhout, The Netherlands

Monday, 2 March, 2015 to Wednesday, 4 March, 2015

Characterizing crucial reaction intermediates of the Selective Catalytic Reduction (SCR) reaction of NOx in CuCHA via Ab Initio Simulations

First-principles study of Aromatic Cokes intermediates in the MTO-process via Computational UV-Vis and fluorescence spectra

Molecular Dynamics Study of Butene Cracking Intermediates in H-ZSM-5

P. Cnudde, J. Van der Mynsbrugge, K. De Wispelaere, K. Hemelsoet, M. Waroquier, V. Van Speybroeck

ISBN/ISSN:

Talk

Conference / event / venue

XVIth Netherlands' Catalysis and Chemistry Conference (NCCC XVI)

Noordwijkerhout, The Netherlands

Monday, 2 March, 2015 to Wednesday, 4 March, 2015

Static and dynamic study of alkene cracking intermediates in H-ZSM-5

Conference / event / venue

The vibrational fingerprint of the electronic excitation energy of molecular systems via molecular dynamics

Conference / event / venue

Advanced Molecular Simulations of Reaction Mechanisms and Complex Reaction Environments in the Methanol to Olefins Process

Supervisors

Selective Catalytic Reduction of NOx: nature and location of Cu in CuSSZ-13 using Molecular Dynamics

Conference / event / venue

Characterizing crucial reaction intermediates of the Selective Catalytic Reduction (SCR) reaction of NOx in CuCHA via Ab Initio Simulations

First-principles study of Aromatic Cokes intermediates in the MTO-process via Computational UV-Vis and fluorescence spectra

Molecular Dynamics Study of Butene Cracking Intermediates in H-ZSM-5

Conference / event / venue

Simulating Fluorescence Spectra Of Large Dyes In A Nanoporous Environment

Elucidating the luminescence properties of functionalized UiO-66 frameworks via Theory

Computational Screening of Organic Compounds used in New Phosphor Materials

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K. Hemelsoet

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