prof. dr. ir. Veronique Van Speybroeck
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- Conference Paper
- C3
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Growth of naphthalenic HP species: influence of the CHA topology from a molecular modeling perspective
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- Conference Paper
- C3
- open access
Elucidation of the acetamide hydrolysis mechanism using QM metadynamics simulations
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- Conference Paper
- C3
- open access
Cleavage of the Oxanorbornene Oxygen Bridge with Lewis Acids: Computation and Experiment
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- Conference Paper
- C3
- open access
Normal mode calculations with the QM/MM full Hessian and the Mobile Block Hessian (MBH) method
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- Conference Paper
- C3
- open access
QM/MM Meta-Dynamics Study of Asparagine Deamidation in Proteins
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- Conference Paper
- C3
- open access
Deactivation of the catalyst during the MTO process from a molecular modeling perspective
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First principle chemical kinetics in nanoporous materials
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The electronegativity equalization method and the split charge equilibration applied to organic systems: Parametrization, validation, and comparison
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Levofloxacin ozonation in water: rate determining process parameters and reaction pathway elucidation
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- Conference Paper
- C3
- open access
The adsorption behavior of xylene isomers in MIL-47 from a theoretical perspective
(2009)