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Transalkylation of methylamines: Kinetics and industrial simulationSTAELENS, Nele; REYNIERS, Marie-Francoise; MARIN, Guy B et al.Industrial & engineering chemistry research. 2004, Vol 43, Num 17, pp 5123-5132, issn 0888-5885, 10 p.Article

Influence of dimethyl disulfide on coke formation during steam cracking of hydrocarbonsJIDONG WANG; REYNIERS, Marie-Francoise; MARIN, Guy B et al.Industrial & engineering chemistry research. 2007, Vol 46, Num 12, pp 4134-4148, issn 0888-5885, 15 p.Article

Microkinetic Modeling of Structural Properties of Poly(vinyl chloride)WIEME, Joris; REYNIERS, Marie-Françoise; MARIN, Guy B et al.Macromolecules (Print). 2009, Vol 42, Num 20, pp 7797-7810, issn 0024-9297, 14 p.Article

Reaction path analysis of propane selective oxidation over V2O5 and V2O5/TiO2ALEXOPOULOS, Konstantinos; REYNIERS, Marie-Françoise; MARIN, Guy B et al.Journal of catalysis (Print). 2012, Vol 289, pp 127-139, issn 0021-9517, 13 p.Article

Reaction path analysis of propene selective oxidation over V2O5 and V2O5/TiO2ALEXOPOULOS, Konstantinos; REYNIERS, Marie-Françoise; MARIN, Guy B et al.Journal of catalysis (Print). 2012, Vol 295, pp 195-206, issn 0021-9517, 12 p.Article

Liquid-phase alkylation of benzene with octenes over Y zeolites: Kinetic modeling including acidity descriptorsCRACIUN, Ionel; REYNIERS, Marie-Françoise; MARIN, Guy B et al.Journal of catalysis (Print). 2012, Vol 294, pp 136-150, issn 0021-9517, 15 p.Article

Physisorption and chemisorption of alkanes and alkenes in H-FAU : a combined ab initio-statistical thermodynamics studyDE MOOR, Bart A; REYNIERS, Marie-Francoise; MARIN, Guy B et al.PCCP. Physical chemistry chemical physics (Print). 2009, Vol 11, Num 16, pp 2939-2958, issn 1463-9076, 20 p.Article

Kinetics of heterogeneously MgO-catalyzed transesterificationDOSSIN, Tanguy F; REYNIERS, Marie-Francoise; MARIN, Guy B et al.Applied catalysis. B, Environmental. 2006, Vol 62, Num 1-2, pp 35-45, issn 0926-3373, 11 p.Article

Two severity indices for scale-up of steam cracking coilsVAN GEEM, Kevin M; REYNIERS, Marie-Francoise; MARIN, Guy B et al.Industrial & engineering chemistry research. 2005, Vol 44, Num 10, pp 3402-3411, issn 0888-5885, 10 p.Article

Density functional study of the adsorption of 1,4-cyclohexadiene on Pt(111): origin of the C-H stretch red shiftSAEYS, Mark; REYNIERS, Marie-Francoise; MARIN, Guy B et al.Surface science. 2002, Vol 513, Num 2, pp 315-327, issn 0039-6028Article

Theoretical study of the adsorption of Cl-C4 primary alcohols in H-ZSM-5NGUYEN, Cuong M; REYNIERS, Marie-Françoise; MARIN, Guy B et al.PCCP. Physical chemistry chemical physics (Print). 2010, Vol 12, Num 32, pp 9481-9493, issn 1463-9076, 13 p.Article

Catalytic Cracking of Alkanes on FAU: Single-Event Microkinetic Modeling Including Acidity DescriptorsVAN BORM, Rhona; REYNIERS, Marie-Françoise; MARIN, Guy B et al.AIChE journal. 2012, Vol 58, Num 7, pp 2202-2215, issn 0001-1541, 14 p.Article

Kinetics of Homolytic Substitutions by Hydrogen Atoms at Thiols and SulfidesVANDEPUTTE, Aäron G; REYNIERS, Marie-Françoise; MARIN, Guy B et al.ChemPhysChem (Print). 2013, Vol 14, Num 8, pp 1703-1722, issn 1439-4235, 20 p.Article

Kinetic Modeling of Hydrogen Abstractions Involving Sulfur RadicalsVANDEPUTTE, Aäron G; REYNIERS, Marie-Françoise; MARIN, Guy B et al.ChemPhysChem (Print). 2013, Vol 14, Num 16, pp 3751-3771, issn 1439-4235, 21 p.Article

Ab initio group contribution method for activation energies of hydrogen abstraction reactionsSAEYS, Mark; REYNIERS, Marie-Francoise; VAN SPEYBROECK, Veronique et al.ChemPhysChem (Print). 2006, Vol 7, Num 1, pp 188-199, issn 1439-4235, 12 p.Article

Ab initio study of free-radical polymerization : Polyethylene propagation kineticsVAN CAUTER, Karen; VAN SPEYBROECK, Veronique; VANSTEENKISTE, Peter et al.ChemPhysChem (Print). 2006, Vol 7, Num 1, pp 131-140, issn 1439-4235, 10 p.Article

Importance of Radical Transfer in Precipitation Polymerization : The Case of Vinyl Chloride Suspension PolymerizationWIEME, Joris; D'HOOGE, Dagmar R; REYNIERS, Marie-Francoise et al.Macromolecular reaction engineering (Print). 2009, Vol 3, Num 1, pp 16-35, issn 1862-832X, 20 p.Article

The kinetics of cyclization reactions on polyaromatics from first principlesVAN SPEYBROECK, Veronique; REYNIERS, Marie-Francoise; MARIN, Guy B et al.ChemPhysChem (Print). 2002, Vol 3, Num 10, pp 863-870, issn 1439-4235, 8 p.Article

Carbon-Centered Radical Addition and β-Scission Reactions : Modeling of Activation Energies and Pre-exponential FactorsSABBE, Maarten K; REYNIERS, Marie-Francoise; VAN SPEYBROECK, Veronique et al.ChemPhysChem (Print). 2008, Vol 9, Num 1, pp 124-140, issn 1439-4235, 17 p.Article

Influence of Silicon and Silicon/Sulfur-Containing Additives on Coke Formation during Steam Cracking of HydrocarbonsJIDONG WANG; REYNIERS, Marie-Francoise; VAN GEEM, Kevin M et al.Industrial & engineering chemistry research. 2008, Vol 47, Num 5, pp 1468-1482, issn 0888-5885, 15 p.Article

Simulation of heterogeneously MgO-catalyzed transesterification for fine-chemical and biodiesel industrial productionDOSSIN, Tanguy F; REYNIERS, Marie-Francoise; BERGER, Rob J et al.Applied catalysis. B, Environmental. 2006, Vol 67, Num 1-2, pp 136-148, issn 0926-3373, 13 p.Article

The influence of dimethyl disulfide on naphtha steam crackingDHUYVETTER, Inge; REYNIERS, Marie-Francoise; FROMENT, Gilbert F et al.Industrial & engineering chemistry research. 2001, Vol 40, Num 20, pp 4353-4362, issn 0888-5885Article

First-principles based kinetic model for the hydrogenation of tolueneSAEYS, Mark; REYNIERS, Marie-Francoise; THYBAUT, Joris W et al.Journal of catalysis (Print). 2005, Vol 236, Num 1, pp 129-138, issn 0021-9517, 10 p.Article

Ab initio group contribution method for activation energies for radical additionsSAEYS, Mark; REYNIERS, Marie-Francoise; MARIN, Guy B et al.AIChE journal. 2004, Vol 50, Num 2, pp 426-444, issn 0001-1541, 19 p.Article

Benzene adsorption on binary Pt3M alloys and surface alloys: a DFT study : Interfacial phenomena in (de)hydrogenation reactionsSABBE, Maarten K; LAIN, Lucia; REYNIERS, Marie-Françoise et al.PCCP. Physical chemistry chemical physics (Print). 2013, Vol 15, Num 29, pp 12197-12214, issn 1463-9076, 18 p.Article

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