Research Explorer

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Researcher

Bart De Moor

Awards & Distinctions

12 Results

2012

Isobutene Protonation in H-FAU, H-MOR, H-ZSM-5, and H-ZSM-22

Cuong Manh NguyenBart De MoorMarie-Françoise ReyniersGuy Marin

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY C

2011

Ab initio study of the adsorption of hydrocarbons in zeolites : influence of molecular structure and framework topology

Bart De MoorGuy MarinMarie-Françoise Reyniers

Adsorption of C2-C8 n-alkanes in zeolites

Bart De MoorMarie-Françoise ReyniersOliver C GobinJohannes A LercherGuy Marin

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY C

Effect of nanopore dimension and network topology on alkene sorption thermodynamics

Cuong Manh NguyenBart De MoorMarie-Françoise ReyniersGuy Marin

Normal mode analysis in zeolites: toward an efficient calculation of adsorption entropies

Bart De MoorAn GhyselsMarie-Françoise ReyniersVeronique Van SpeybroeckMichel WaroquierGuy Marin

A1 Journal Article in JOURNAL OF CHEMICAL THEORY AND COMPUTATION

Physisorption and chemisorption of linear alkenes in zeolites: a combined QM-Pot(MP2//B3LYP:GULP)–statistical thermodynamics study

Cuong Manh NguyenBart De MoorMarie-Françoise ReyniersGuy Marin

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY C

2009

Physisorption and chemisorption of alkanes and alkenes in H-FAU: a combined ab initio – statistical thermodynamics study

Bart De MoorMarie-Françoise ReyniersGuy Marin

A1 Journal Article in PHYSICAL CHEMISTRY CHEMICAL PHYSICS

2008

Alkylation of benzene with alkenes in acidic zeolites: an ab initio study

Bart De MoorLien BenteinMarie-Françoise ReyniersGuy Marin

Physisorption and chemisorption of alkenes: ab initio study of the influence of alkene structure and zeolite topology

Bart De MoorMarie-Françoise ReyniersGuy Marin

Physisorption and chemisorption of hydrocarbons in H-FAU using QM-Pot(MP2//B3LYP) calculations

Bart De MoorMarie-Françoise ReyniersM SIERKAJ SAUERGuy Marin

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY C

2006

Chemisorption of alkenes in H-FAU: description of the alkoxide bond using a combined QM/MM approach

Bart De MoorMarie-Françoise ReyniersMarek SierkaJoachim SauerGuy Marin

Physisorption of C2-C8 alkenes in H-FAU and H-ZSM-5

Bart De MoorE KintMarie-Françoise ReyniersVeronique Van SpeybroeckMichel WaroquierGuy Marin