Bart De Sterck

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Identification of intermediates in zeolite-catalyzed reactions by in situ UV/Vis microspectroscopy and a complementary set of molecular simulations

Karen Hemelsoet (UGent) , Qingyun Qian, Thierry De Meyer (UGent) , Kristof De Wispelaere (UGent) , Bart De Sterck (UGent) , Bert M Weckhuysen, Michel Waroquier (UGent) and Veronique Van Speybroeck (UGent)

(2013) CHEMISTRY-A EUROPEAN JOURNAL. 19(49). p.16595-16606
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Mechanistic studies on chabazite-type methanol-to-olefin catalysts: insights from time-resolved UV/Vis microspectroscopy combined with theoretical simulations

Veronique Van Speybroeck (UGent) , Karen Hemelsoet (UGent) , Kristof De Wispelaere (UGent) , Qingyun Qian, Jeroen Van der Mynsbrugge (UGent) , Bart De Sterck (UGent) , BM Weckhuysen and Michel Waroquier (UGent)

(2013) CHEMCATCHEM. 5(1). p.173-184
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Diastereoselective Aldol reaction of Zincated 3-Chloro-3-methyl-1-azaallylic anions as key step in the synthesis of 1,2,3,4-Tetrasubstituted 3-Chloroazetidines

Sven Mangelinckx (UGent) , Bart De Sterck (UGent) , Filip Colpaert (UGent) , Saron Catak (UGent) , Jan Jacobs (UGent) , Stijn Rooryck, Michel Waroquier (UGent) , Veronique Van Speybroeck (UGent) and Norbert De Kimpe (UGent)

(2012) JOURNAL OF ORGANIC CHEMISTRY. 77(7). p.3415-3425
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- Journal Article
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Controlling the tacticity in the polymerization of N-isopropylacrylamide: a computational study

TA Furuncuoğlu Özaltin, I Değirmenci, V Aviyente, C Atilgan, Bart De Sterck (UGent) , Veronique Van Speybroeck (UGent) and Michel Waroquier (UGent)

(2011) POLYMER. 52(24). p.5503-5512
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- Conference Paper
- C3
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Competitive pathways for peptide deamidation

Saron Catak (UGent) , Bart De Sterck (UGent) , RE Bulo, Michel Waroquier (UGent) and Veronique Van Speybroeck (UGent)

(2011) Ninth triennial congress of the World Association of Theoretical and Computational Chemists, WATOC 2011. p.104-104
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Deamidation of peptides: succinimide hydrolysis pathways

Saron Catak (UGent) , Bart De Sterck (UGent) , RE Bulo, Michel Waroquier (UGent) and Veronique Van Speybroeck (UGent)

(2011) CPMD meeting Barcelona, Abstracts. p.86-86
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Ab initio study on the deactivation of zeolite and zeotype catalysts during the MTO process

Kristof De Wispelaere (UGent) , Jeroen Van der Mynsbrugge (UGent) , Bart De Sterck (UGent) , Karen Hemelsoet (UGent) , Michel Waroquier (UGent) and Veronique Van Speybroeck (UGent)

(2011) 5th International FEZA conference : abstracts. p.617-618
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Effects of zeolite topology on methylation reactions in the MTO process from a theoretical perspective

Jeroen De Ridder (UGent) , Jeroen Van der Mynsbrugge (UGent) , Bart De Sterck (UGent) , Karen Hemelsoet (UGent) , Michel Waroquier (UGent) and Veronique Van Speybroeck (UGent)

(2011) Netherlands Catalysis and Chemistry Conference, 12th, Abstracts. p.199-199
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Ab initio study on the deactivation of an H-SSZ-13 and H-SAPO-34 catalyst during the MTO process

Kristof De Wispelaere (UGent) , Jeroen Van der Mynsbrugge (UGent) , Bart De Sterck (UGent) , Karen Hemelsoet (UGent) , Michel Waroquier (UGent) and Veronique Van Speybroeck (UGent)

(2011) Netherlands Catalysis and Chemistry Conference, 12th, Abstracts. p.278-278
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Influence of protein environment on the EPR properties of flavoprotein radicals: a QM/MM study

Ewald Pauwels (UGent) , Reinout Declerck (UGent) , Toon Verstraelen (UGent) , Bart De Sterck (UGent) , CWM Kay, Veronique Van Speybroeck (UGent) and Michel Waroquier (UGent)

(2010) Multiscale molecular modelling : molecular dynamics, computational statistical mechanics, and simulation algorithms, Abstracts.
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QM metadynamics study on asparagine deamidation in proteins

Saron Catak (UGent) , Bart De Sterck (UGent) , Michel Waroquier (UGent) and Veronique Van Speybroeck (UGent)

(2010) ACS National Meeting, 239th, Abstracts.
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QM Metadynamics study on peptide deamidation

Saron Catak (UGent) , Bart De Sterck (UGent) , Rosa E Bulo, Michel Waroquier (UGent) and Veronique Van Speybroeck (UGent)

(2010) Chemical Physics Congress IX, Abstracts.
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- Journal Article
- A1
Influence of protein environment on the electron paramagnetic resonance properties of flavoprotein radicals: a QM/MM study

Ewald Pauwels (UGent) , Reinout Declerck (UGent) , Toon Verstraelen (UGent) , Bart De Sterck (UGent) , Christopher WM Kay, Veronique Van Speybroeck (UGent) and Michel Waroquier (UGent)

(2010) JOURNAL OF PHYSICAL CHEMISTRY B. 114(49). p.16655-16665
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DFT-based elucidation of asparagine deamidation in peptides

Saron Catak (UGent) , Bart De Sterck (UGent) , Gerald Monard, Manuel F Ruiz-López, Viktorya Aviyente, Michel Waroquier (UGent) and Veronique Van Speybroeck (UGent)

(2010) Quantum Chemistry in Belgium, 9th edition, Abstracts.
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- PhD Thesis
Solvent effects in chemical, biochemical and polymerization reactions, studied with static and dynamic molecular modeling techniques

Bart De Sterck (UGent)

(2010)
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- Journal Article
- A1
Modeling the solvent effect on the tacticity in the free radical polymerization of methyl methacrylate

Isa Degirmenci, Sükrü Eren, Viktorya Aviyente, Bart De Sterck (UGent) , Karen Hemelsoet (UGent) , Veronique Van Speybroeck (UGent) and Michel Waroquier (UGent)

(2010) MACROMOLECULES. 43(13). p.5602-5610
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- Journal Article
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Solvent effects on free radical polymerization reactions: the influence of water on the propagation rate of acrylamide and methacrylamide

Bart De Sterck (UGent) , Roel Vaneerdeweg, Filip Du Prez (UGent) , Michel Waroquier (UGent) and Veronique Van Speybroeck (UGent)

(2010) MACROMOLECULES. 42(2). p.827-836
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- C3
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Elucidation of the acetamide hydrolysis mechanism using QM metadynamics simulations

Bart De Sterck (UGent) , Saron Catak (UGent) , Michel Waroquier (UGent) and Veronique Van Speybroeck (UGent)

(2009) Abstracts 13th ICQC Congress.
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- Conference Paper
- C3
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QM/MM Meta-Dynamics Study of Asparagine Deamidation in Proteins

Saron Catak (UGent) , Bart De Sterck (UGent) , Ewald Pauwels (UGent) , Gerald Monard, Manuel F. Ruiz-Lopez, Viktorya Aviyente, Michel Waroquier (UGent) and Veronique Van Speybroeck (UGent)

(2009) Abstracts 13th International Conference on the Applications of Density Functional Theory in Chemistry and Physics.
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- Journal Article
- A1
A theoretical study on the solvated structural properties of various metalated 3-halo-1-azaallylic anions

Bart De Sterck (UGent) , Veronique Van Speybroeck (UGent) , Sven Mangelinckx (UGent) , Guido Verniest (UGent) , Norbert De Kimpe (UGent) and Michel Waroquier (UGent)

(2009) Journal of Physical Chemistry A. 113(22). p.6375-6380

Academic Bibliography

Bart De Sterck

Identification of intermediates in zeolite-catalyzed reactions by in situ UV/Vis microspectroscopy and a complementary set of molecular simulations

Mechanistic studies on chabazite-type methanol-to-olefin catalysts: insights from time-resolved UV/Vis microspectroscopy combined with theoretical simulations

Diastereoselective Aldol reaction of Zincated 3-Chloro-3-methyl-1-azaallylic anions as key step in the synthesis of 1,2,3,4-Tetrasubstituted 3-Chloroazetidines

Controlling the tacticity in the polymerization of N-isopropylacrylamide: a computational study

Competitive pathways for peptide deamidation

Deamidation of peptides: succinimide hydrolysis pathways

Ab initio study on the deactivation of zeolite and zeotype catalysts during the MTO process

Effects of zeolite topology on methylation reactions in the MTO process from a theoretical perspective

Ab initio study on the deactivation of an H-SSZ-13 and H-SAPO-34 catalyst during the MTO process

Influence of protein environment on the EPR properties of flavoprotein radicals: a QM/MM study

QM metadynamics study on asparagine deamidation in proteins

QM Metadynamics study on peptide deamidation

Influence of protein environment on the electron paramagnetic resonance properties of flavoprotein radicals: a QM/MM study

DFT-based elucidation of asparagine deamidation in peptides

Solvent effects in chemical, biochemical and polymerization reactions, studied with static and dynamic molecular modeling techniques

Modeling the solvent effect on the tacticity in the free radical polymerization of methyl methacrylate

Solvent effects on free radical polymerization reactions: the influence of water on the propagation rate of acrylamide and methacrylamide

Elucidation of the acetamide hydrolysis mechanism using QM metadynamics simulations

QM/MM Meta-Dynamics Study of Asparagine Deamidation in Proteins

A theoretical study on the solvated structural properties of various metalated 3-halo-1-azaallylic anions

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