Onderzoeker
Samuel Moors
- Disciplines:Statistische mechanica in de chemie, Theoretische en computationele chemie niet elders geclassificeerd, Cheminformatica, Biomoleculaire modellering en design, (Bio)moleculaire modellering en design
Affiliaties
- Vakgroep Toegepaste Fysica (Departement)
Lid
Vanaf1 mrt 2012 → 30 sep 2014
Publicaties
1 - 10 van 11
- Active site engineering of Metal-Organic-Frameworks guided by molecular modeling(2014)
Auteurs: Matthias Vandichel, Samuel Moors, Frederik Vermoortele, Michel Waroquier, Veronique Van Speybroeck
Aantal pagina's: 1 - An REMD and QM/MM study into the sequence effect on asparagine deamidation(2012)
Auteurs: Ewald Pauwels, Samuel Moors, Jan Félix, Savvas Savvides, Michel Waroquier, Veronique Van Speybroeck, Saron Catak
Pagina's: 9 - 10 - Dynamic ab initio study towards new hydrocarbon pool cycles for the MTO-conversion in H-SAPO-5
Auteurs: Thomas Deconinck, Kristof De Wispelaere, Jeroen Van der Mynsbrugge, Samuel Moors, M Westgård Erichsen, S Svelle, U Olsbye, Karen Hemelsoet
Aantal pagina's: 1 - Shape-selective diffusion of olefins in 8-ring solid acid microporous zeolites
Auteurs: Samuel Moors, Karen Hemelsoet, Kristof De Wispelaere, German Sastre
Pagina's: 23721 - 23734 - Correction to U+201CShape-Selective Diffusion of Olefins in 8-Ring Solid Acid Microporous ZeolitesU+201D
Auteurs: Samuel Moors, Karen Hemelsoet, Kristof De Wispelaere, German Sastre
Pagina's: 5854 - 5854 - Unraveling the reaction mechanism of methanol conversion : the synergy between extended cluster models and molecular dynamics
Auteurs: Kristof De Wispelaere, Karen Hemelsoet, Samuel Moors, Jeroen Van der Mynsbrugge
Pagina's: 10 - 10 - Molecular dynamics kinetic study on the zeolite-catalyzed benzene methylation in ZSM-5
Auteurs: Samuel Moors, Kristof De Wispelaere, Jeroen Van der Mynsbrugge
Pagina's: 2556 - 2567 - How zeolitic acid strength and composition alter the reactivity of alkenes and aromatics towards methanol
Auteurs: Marius Westgård Erichsen, Kristof De Wispelaere, Karen Hemelsoet, Samuel Moors, Thomas Deconinck, Stian Svelle, Unni Olsbye
Pagina's: 186 - 196 - Insight into the formation and reactivity of framework-bound methoxide species in H-ZSM-5 from static and dynamic molecular simulations
Auteurs: Jeroen Van der Mynsbrugge, Samuel Moors, Kristof De Wispelaere
Pagina's: 1906 - 1918 - The mechanism of methanol conversion: insight from extended cluster models and molecular dynamics
Auteurs: Kristof De Wispelaere, Karen Hemelsoet, Samuel Moors, Jeroen Van der Mynsbrugge
Pagina's: 191 - 191