Research Explorer

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Researcher

Samuel Moors

Awards & Distinctions

11 Results

2017

Correction to “Shape-Selective Diffusion of Olefins in 8-Ring Solid Acid Microporous Zeolites”

An GhyselsSamuel MoorsKaren HemelsoetKristof De WispelaereMichel WaroquierGerman SastreVeronique Van Speybroeck

2015

How zeolitic acid strength and composition alter the reactivity of alkenes and aromatics towards methanol

Marius Westgård ErichsenKristof De WispelaereKaren HemelsoetSamuel MoorsThomas DeconinckMichel WaroquierStian SvelleVeronique Van SpeybroeckUnni Olsbye

A1 Journal Article in JOURNAL OF CATALYSIS

Shape-selective diffusion of olefins in 8-ring solid acid microporous zeolites

An GhyselsSamuel MoorsKaren HemelsoetKristof De WispelaereMichel WaroquierGerman SastreVeronique Van Speybroeck

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY C

2014

Active site engineering of Metal-Organic-Frameworks guided by molecular modeling

Matthias VandichelSamuel MoorsFrederik VermoorteleMichel WaroquierVeronique Van Speybroeck

Dynamic ab initio study towards new hydrocarbon pool cycles for the MTO-conversion in H-SAPO-5

Thomas DeconinckKristof De WispelaereJeroen Van der MynsbruggeSamuel MoorsM Westgård ErichsenS SvelleU OlsbyeKaren HemelsoetVeronique Van Speybroeck

Insight into the formation and reactivity of framework-bound methoxide species in H-ZSM-5 from static and dynamic molecular simulations

Jeroen Van der MynsbruggeSamuel MoorsKristof De WispelaereVeronique Van Speybroeck

A1 Journal Article in CHEMCATCHEM

2013

Low-barrier route for the MTO reaction in H-SAPO-34: insight from extended cluster models and molecular dynamics

Kristof De WispelaereKaren HemelsoetSamuel MoorsMichel WaroquierVeronique Van Speybroeck

Molecular dynamics kinetic study on the zeolite-catalyzed benzene methylation in ZSM-5

Samuel MoorsKristof De WispelaereJeroen Van der MynsbruggeMichel WaroquierVeronique Van Speybroeck

A1 Journal Article in ACS CATALYSIS

The mechanism of methanol conversion: insight from extended cluster models and molecular dynamics

Kristof De WispelaereKaren HemelsoetSamuel MoorsJeroen Van der MynsbruggeMichel WaroquierVeronique Van Speybroeck

Unraveling the reaction mechanism of methanol conversion : the synergy between extended cluster models and molecular dynamics

Kristof De WispelaereKaren HemelsoetSamuel MoorsJeroen Van der MynsbruggeMichel WaroquierVeronique Van Speybroeck

2012

An REMD and QM/MM study into the sequence effect on asparagine deamidation

Ewald PauwelsSamuel MoorsJan FélixSavvas SavvidesMichel WaroquierVeronique Van SpeybroeckSaron Catak