Academic Bibliography

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Critical analysis of the accuracy of models predicting or extracting liquid structure information

Marc Van Houteghem (UGent) , An Ghysels (UGent) , Toon Verstraelen (UGent) , Ward Poelmans (UGent) , Michel Waroquier (UGent) and Veronique Van Speybroeck (UGent)

(2014) JOURNAL OF PHYSICAL CHEMISTRY B. 118(9). p.2451-2470
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Analysis of the basis set superposition error in molecular dynamics of hydrogen-bonded liquids: application to methanol

Marc Van Houteghem (UGent) , Toon Verstraelen (UGent) , An Ghysels (UGent) , Louis Vanduyfhuys (UGent) , Michel Waroquier (UGent) and Veronique Van Speybroeck (UGent)

(2012) JOURNAL OF CHEMICAL PHYSICS. 137(10).
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Introducing BSSE as an extra energy term in molecular dynamics

Marc Van Houteghem (UGent) , An Ghysels (UGent) , Toon Verstraelen (UGent) , Veronique Van Speybroeck (UGent) , Michel Waroquier (UGent) , Christine Kirschhock and Johan Martens

(2011) Interuniversity Attraction Pole IAP P6/27 FS2 Annual Network Meeting, Abstracts. p.WP3/8-WP3/8
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UV-Raman and 29Si NMR spectroscopy investigation of the nature of silicate oligomers formed by acid catalyzed hydrolysis and polycondensation of tetramethylorthosilicate

Anouschka Depla, Elke Verheyen, An Veyfeyken, Marc Van Houteghem (UGent) , Kristof Houthoofd, Veronique Van Speybroeck (UGent) , Michel Waroquier (UGent) , Christine EA Kirschhock and Johan A Martens

(2011) JOURNAL OF PHYSICAL CHEMISTRY C. 115(22). p.11077-11088
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Atomic velocity projection method: a new analysis method for vibrational spectra in terms of internal coordinates for a better understanding of zeolite nanogrowth

Marc Van Houteghem (UGent) , Toon Verstraelen (UGent) , Dimitri Van Neck (UGent) , Christine Kirschhock, Johan A Martens, Michel Waroquier (UGent) and Veronique Van Speybroeck (UGent)

(2011) JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 7(4). p.1045-1061
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- journalArticle
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MD-TRACKS: A Productive Solution for the Advanced Analysis of Molecular Dynamics and Monte Carlo simulations

Toon Verstraelen (UGent) , Marc Van Houteghem (UGent) , Veronique Van Speybroeck (UGent) and Michel Waroquier (UGent)

(2008) JOURNAL OF CHEMICAL INFORMATION AND MODELING. 48(12). p.2414-2424

Academic Bibliography

Critical analysis of the accuracy of models predicting or extracting liquid structure information

Analysis of the basis set superposition error in molecular dynamics of hydrogen-bonded liquids: application to methanol

Introducing BSSE as an extra energy term in molecular dynamics

UV-Raman and 29Si NMR spectroscopy investigation of the nature of silicate oligomers formed by acid catalyzed hydrolysis and polycondensation of tetramethylorthosilicate

Atomic velocity projection method: a new analysis method for vibrational spectra in terms of internal coordinates for a better understanding of zeolite nanogrowth

MD-TRACKS: A Productive Solution for the Advanced Analysis of Molecular Dynamics and Monte Carlo simulations

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