Marc Van Houteghem

2012

Analysis of the basis set superposition error in molecular dynamics of hydrogen-bonded liquids: application to methanol, M. Van Houteghem, T. Verstraelen, A. Ghysels, L. Vanduyfhuys, M. Waroquier, V. Van Speybroeck, Journal of Chemical Physics, 137 (2012), 104506 , 2012, IF: 3.333, 7/32 [Q1]

2011

Atomic Velocity Projection Method: A New Analysis Method for Vibrational Spectra in Terms of Internal Coordinates for a Better Understanding of Zeolite Nanogrowth, M. Van Houteghem, T. Verstraelen, D. Van Neck, C. Kirschhock, J.A. Martens, M. Waroquier, V. Van Speybroeck, Journal of Chemical Theory and Computation (JCTC), 7, 1045-1061, 2011, IF: 5.215, 2/32 [Q1]

UV-Raman and 29Si NMR Spectroscopy Investigation of the Nature of Silicate Oligomers Formed by Acid Catalyzed Hydrolysis and Polycondensation of Tetramethylorthosilicate, A. Depla, E. Verheyen, A. Verfeyken, M. Van Houteghem, K. Houthoofd, V. Van Speybroeck, M. Waroquier, C. Kirschhock, J.A. Martens, Journal of Physical Chemistry C, 115(22), 11077-11088, 2011, IF: 4.805, 23/231 [Q1]

2008

MD-TRACKS: A Productive Solution for the Advanced Analysis of Molecular Dynamics and Monte Carlo simulations, T. Verstraelen, M. Van Houteghem, V. Van Speybroeck, M. Waroquier, Journal of Chemical Information and Modeling (JCIM), 48 (12), 2414–2424, 2008, IF: 3.643, [Q1]

2011

Introducing BSSE as an extra energy term in molecular dynamics, M. Van Houteghem, A. Ghysels, T. Verstraelen, V. Van Speybroeck, M. Waroquier, C. Kirschhock, J.A. Martens, IAP Annual Meeting, Leuven, Belgium, Mon, 21/11/2011 to Tue, 22/11/2011

2010

Insight into zeolite nanogrowth through the analysis of vibrational spectra in terms of internal coordinates, M. Van Houteghem, T. Verstraelen, D. Van Neck, C. Kirschhock, J.A. Martens, M. Waroquier, FirW PhD symposium 2010, Ghent Univeristy, Faculty of Engineering, Ghent, Belgium, Wed, 01/12/2010

2009

Deconvolution of spectra derived from molecular dynamics, M. Van Houteghem, IAP-PAI P6/27 Annual Meeting, Leuven, Belgium, Mon, 14/12/2009 to Tue, 15/12/2009

A study of liquids on an atomic scale: molecular dynamics on organic solvents, M. Van Houteghem, FirW PhD symposium 2009, Ghent Univeristy, Faculty of Engineering, Ghent, Belgium, Wed, 09/12/2009

2008

A study of liquids on an atomic scale: molecular dynamics on organic solvents, M. Van Houteghem, Doctoral Symposium, Ghent Univeristy, Faculty of Engineering, Ghent, Belgium, Wed, 03/12/2008

Dissertations

(D2), A Study of Liquids on an Atomic Scale: Molecular Dynamics on Organic Solvents / Vloeistoffen bekeken op Atomaire Schaal: Moleculaire Dynamica op Organische Solventen, M. Van Houteghem, Supervisor(s): Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. Michel Waroquier, 2008