Thierry De Meyer

PhD Fellow (EA17)
+32 (0)9 264 65 61
Technologiepark 903, 9052 Zwijnaarde
Office n°023

A1 publications

Submitted / In revision / In press

Acidity constant (pKa) calculation of large solvated dye molecules: evaluation of two advanced molecular dynamics methods, T. De Meyer, B. Ensing, S.M.J. Rogge, K. De Clerck, E.J. Meijer, V. Van Speybroeck, Chemistry - A European Journal, In press, 2016, IF:5.771, 24/163 [Q1]

2016

Halochromic properties of sulfonphthaleine dyes in a textile environment: the influence of substituents, T. De Meyer, I. Steyaert, K. Hemelsoet, R. Hoogenboom, V. Van Speybroeck, K. De Clerck, Dyes and Pigments, 124 (2016), 249-257, 2016, IF: 4.055, 1/23 [Q1]

2014

Exploring the Vibrational Fingerprint of the Electronic Excitation Energy via Molecular Dynamics, A. Van Yperen-De Deyne, T. De Meyer, E. Pauwels, A. Ghysels, K. De Clerck, M. Waroquier, V. Van Speybroeck, K. Hemelsoet, Journal of Chemical Physics, 140 (2014), 134105, 2014, IF: 2.952, 8/34 [Q1]
Substituent effects on absorption spectra of pH-indicators: An experimental and computational study of sulfonphthaleine dyes, T. De Meyer, K. Hemelsoet, V. Van Speybroeck, K. De Clerck, Dyes and Pigments, 102, 241-250, 2014, IF: 3.966, 1/22 [Q1]

2013

Identification of intermediates in zeolite-catalyzed reactions using in-situ UV/Vis micro-spectroscopy and a complementary set of molecular simulations, K. Hemelsoet, Q. Qian, T. De Meyer, K. De Wispelaere, B. De Sterck, B.M. Weckhuysen, M. Waroquier, V. Van Speybroeck, Chemistry - A European Journal, 19, 49, 16595-16606, 2013, IF: 5.696, 22/148 [Q1]
Polycaprolactone and polycaprolactone/chitosan nanofibres functionalised with the pH-sensitive dye Nitrazine Yellow, L. Van der Schueren, T. De Meyer, I. Steyaert, O. Ceylan, K. Hemelsoet, V. Van Speybroeck, K. De Clerck, Carbohydrate Polymers, 91 (1), 284-293, 2013, IF: 3.916, 4/71 [Q1]

2012

Investigating the Halochromic Properties of Azo Dyes in an Aqueous Environment by Using a Combined Experimental and Theoretical Approach, T. De Meyer, K. Hemelsoet, L. Van der Schueren, E. Pauwels, K. De Clerck, V. Van Speybroeck, Chemistry - A European Journal, 18 (26), 8120-8129, 2012, IF: 5.831, 21/152 [Q1]

A2 publications

B publications

P1 publications

Invited talks

Talks

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, IAP, joint WP1/PL1 meeting, Mons, Belgium, Thu, 05/02/2015

2014

Substituent effects on absorption spectra of pH indicators: An experimental and computational study of sulfonphthaleine dyes, T. De Meyer, K. De Clerck, V. Van Speybroeck, WATOC 2014 Satellite Meeting on Large Condensed and Biological Systems, Concepción, Chili,
Mon, 13/10/2014 to Tue, 14/10/2014
A theoretical assignment scale of aromatic and aliphatic MTO intermediates, K. Hemelsoet, Q. Qian, K. De Wispelaere, T. De Meyer, A. Van Yperen-De Deyne, M. Waroquier, B.M. Weckhuysen, V. Van Speybroeck, XVth Netherlands' Catalysis and Chemistry Conference (NCCC XV), Noordwijkerhout, The Netherlands,
Mon, 10/03/2014 to Wed, 12/03/2014
Substituent effects on absorption spectra of pH indicators: An experimental and computational study of sulfonphthaleine dyes, T. De Meyer, K. Hemelsoet, K. De Clerck, V. Van Speybroeck, ChemCys, Blankenberge, Belgium,
Thu, 27/02/2014 to Fri, 28/02/2014

2013

Characterization of Methanol-to-Olefin Intermediates in Chabazite Zeolites using in-situ UV/Vis Microspectroscopy combined with Ab Initio Simulations, K. Hemelsoet, Q. Qian, K. De Wispelaere, T. De Meyer, A. Van Yperen-De Deyne, M. Waroquier, B.M. Weckhuysen, V. Van Speybroeck, XIth European Congress on Catalysis, Lyon - France,
Sun, 01/09/2013 to Fri, 06/09/2013
UV/Vis Spectra of Carbonaceous Methanol-to-Olefins Intermediates using TD-DFT combined with Molecular Dynamics, K. Hemelsoet, K. De Wispelaere, T. De Meyer, A. Van Yperen-De Deyne, M. Waroquier, V. Van Speybroeck, Q. Qian, B.M. Weckhuysen, TD-DFT Conference, Nantes, France,
Tue, 23/04/2013 to Fri, 26/04/2013

2012

Colour changing wound bandages, T. De Meyer, 13th UGent FEA PhD Symposium, Ghent, Belgium, p. 24, Wed, 05/12/2012
pH-sensitivity of azo dyes, T. De Meyer, L. Van der Schueren, K. Hemelsoet, V. Van Speybroeck, K. De Clerck, Fiber Society Spring Conference 2012, EMPA, Lausanne, Switzerland, p. 103-104,
Wed, 23/05/2012 to Fri, 25/05/2012

Posters

2015

pKa calculations based on advanced MD simulations , T. De Meyer, B. Ensing, K. Hemelsoet, K. De Clerck, V. Van Speybroeck, E.J. Meijer, CHAINS 2015, Veldhoven, Amsterdam,
Tue, 01/12/2015 to Wed, 02/12/2015
pKa calculations based on advanced MD simulations, T. De Meyer, B. Ensing, K. Hemelsoet, K. De Clerck, V. Van Speybroeck, E.J. Meijer, Holland Research School of Molecular Chemistry Symposium 2015, Vrije Universiteit, Amsterdam, The Netherlands, Thu, 05/11/2015
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, Next generation quantum based molecular dy-namics: challenges and perspectives, Bremen, Germany,
Mon, 13/07/2015 to Fri, 17/07/2015

2014

Substituent effects on absorption spectra of pH-indicators: An experimental and computational study of sulfonphthaleine dyes, T. De Meyer, K. Hemelsoet, V. Van Speybroeck, K. De Clerck, WATOC 2014, Santiago de Chile, Chile,
Sun, 05/10/2014 to Fri, 10/10/2014
Interaction of pH-indicators with polymers: influence of substituents, T. De Meyer, K. Hemelsoet, R. Hoogenboom, K. De Clerck, V. Van Speybroeck, IAP P7/05 Annual Meeting, Louvain-la-Neuve, Belgium, Fri, 19/09/2014
Characterisation of aromatic and aliphatic MTO intermediates using theoretical excitation and emission spectra, K. Hemelsoet, Q. Qian, K. De Wispelaere, T. De Meyer, J. Ruiz-Martinez, M. Waroquier, B.M. Weckhuysen, V. Van Speybroeck, 6 th FEZA Conference 2014, Leipzig, Germany,
Mon, 08/09/2014 to Thu, 11/09/2014

2013

Vibrational fingerprint of spectroscopic properties, A. Van Yperen-De Deyne, T. De Meyer, A. Ghysels, K. Hemelsoet, E. Pauwels, V. Van Speybroeck, M. Waroquier, Annual IAP Meeting, Ghent, Belgium, Wed, 18/09/2013
Identification of intermediates in zeolite-catalyzed reactions using in-situ UV/Vis micro-spectroscopy and a complementary set of molecular simulations, K. Hemelsoet, Q. Qian, T. De Meyer, K. De Wispelaere, B.M. Weckhuysen, M. Waroquier, V. Van Speybroeck, Annual IAP Meeting, Ghent, Belgium, Wed, 18/09/2013
Halochromic properties of sulfonphthaleine dyes, T. De Meyer, K. Hemelsoet, K. De Clerck, V. Van Speybroeck, Annual IAP Meeting, Ghent, Belgium, Wed, 18/09/2013
Vibrational Fingerprint of Spectroscopic Properties, A. Van Yperen-De Deyne, T. De Meyer, A. Ghysels, K. Hemelsoet, E. Pauwels, V. Van Speybroeck, M. Waroquier, TD-DFT, Nantes,
Tue, 23/04/2013 to Fri, 26/04/2013
pH-sensitive dyes in aqueous solution, T. De Meyer, K. Hemelsoet, A. Van Yperen-De Deyne, K. De Clerck, V. Van Speybroeck, Time Dependent - Density Functional Theory conference, Nantes, France,
Tue, 23/04/2013 to Fri, 26/04/2013

2012

UV-VIS spectra of azo dyes in aqueous environment: a combined TD-DFT and molecular dynamics study, T. De Meyer, K. Hemelsoet, L. Van der Schueren, E. Pauwels, K. De Clerck, V. Van Speybroeck, DFTM2012, Gent, Belgium,
Sun, 01/04/2012 to Fri, 06/04/2012
The pH-sensitive properties of azo dyes in aqueous environment, T. De Meyer, K. Hemelsoet, L. Van der Schueren, E. Pauwels, K. De Clerck, V. Van Speybroeck, QCB10, Brussel, Fri, 10/02/2012
The pH-sensitive properties of azo dyes in aqueous environment, T. De Meyer, K. Hemelsoet, L. Van der Schueren, E. Pauwels, K. De Clerck, V. Van Speybroeck, Molsim2012, Amsterdam,
Mon, 09/01/2012 to Fri, 20/01/2012

Dissertations

(D2), Invloed van vezelmaterialen op het halochromisme van ethyloranje: een experimentele en computationele studie, T. De Meyer, Supervisor(s): Prof. Dr. ir. Karen De Clerck, Prof. Dr. ir. Veronique Van Speybroeck, 2011