Dr. ir. Thierry De Meyer
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Published
2016
Acidity constant (pKa) calculation of large solvated dye molecules: evaluation of two advanced molecular dynamics methods , , ChemPhysChem , 17 (21), 3447–3459 , 2016 , IF: 3.075 , 8/35 [Q1]
Halochromic properties of sulfonphthaleine dyes in a textile environment: the influence of substituents , , Dyes and Pigments , 124 (2016), 249-257 , 2016 , IF: 4.055 , 1/23 [Q1]
2014
Substituent effects on absorption spectra of pH-indicators: An experimental and computational study of sulfonphthaleine dyes , , Dyes and Pigments , 102, 241-250 , 2014 , IF: 3.966 , 1/22 [Q1]
Exploring the Vibrational Fingerprint of the Electronic Excitation Energy via Molecular Dynamics , , Journal of Chemical Physics , 140 (2014), 134105 , 2014 , IF: 2.952 , 8/34 [Q1]
2013
Identification of intermediates in zeolite-catalyzed reactions using in-situ UV/Vis micro-spectroscopy and a complementary set of molecular simulations , , 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 , , 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 , , Chemistry - A European Journal , 18 (26), 8120-8129 , 2012 , IF: 5.831 , 21/152 [Q1]
Dissertations
(D1) , Experimental and computational study of the pH-sensitive properties of organic dye molecules , , Supervisor(s): Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. ir. Karen De Clerck , 20/09/2016
(D2) , Invloed van vezelmaterialen op het halochromisme van ethyloranje: een experimentele en computationele studie , , Supervisor(s): Prof. Dr. ir. Karen De Clerck, Prof. Dr. ir. Veronique Van Speybroeck , 2011
2015
The vibrational fingerprint of the electronic excitation energy of molecular systems via Molecular Dynamics , , 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 , , 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 , , 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 , , 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 , , 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 , , TD-DFT Conference , Nantes, France , Tue, 23/04/2013 to Fri, 26/04/2013
2012
Colour changing wound bandages , , 13th UGent FEA PhD Symposium , Ghent, Belgium , p. 24 , Wed, 05/12/2012
pH-sensitivity of azo dyes , , Fiber Society Spring Conference 2012 , EMPA, Lausanne, Switzerland , p. 103-104 , Wed, 23/05/2012 to Fri, 25/05/2012
2015
pKa calculations based on advanced MD simulations , , CHAINS 2015 , Veldhoven, Amsterdam , Tue, 01/12/2015 to Wed, 02/12/2015
pKa calculations based on advanced MD simulations , , 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 , , 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 , , WATOC 2014 , Santiago de Chile, Chile , Sun, 05/10/2014 to Fri, 10/10/2014
Interaction of pH-indicators with polymers: influence of substituents , , 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 , , 6 th FEZA Conference 2014 , Leipzig, Germany , Mon, 08/09/2014 to Thu, 11/09/2014
2013
Halochromic properties of sulfonphthaleine dyes , , Annual IAP Meeting , Ghent, Belgium , Wed, 18/09/2013
Vibrational fingerprint of spectroscopic properties , , 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 , , Annual IAP Meeting , Ghent, Belgium , Wed, 18/09/2013
Vibrational Fingerprint of Spectroscopic Properties , , TD-DFT , Nantes , Tue, 23/04/2013 to Fri, 26/04/2013
pH-sensitive dyes in aqueous solution , , 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 , , DFTM2012 , Gent, Belgium , Sun, 01/04/2012 to Fri, 06/04/2012
The pH-sensitive properties of azo dyes in aqueous environment , , QCB10 , Brussel , Fri, 10/02/2012
The pH-sensitive properties of azo dyes in aqueous environment , , Molsim2012 , Amsterdam , Mon, 09/01/2012 to Fri, 20/01/2012