Metal Organic Frameworks
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Matthias Vandichel
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Published
2017
A robust molecular catalyst generated in-situ for photo- and electrochemical water oxidation , , ChemSusChem , 10 (5), 862-875 , 2017 , IF: 7.226 , 22/166 [Q1]
Inserting CO2 into Terminal Alkynes via Bis-(NHC)-Metal Complexes , , Catalysis Letters , 147 (2), 463-471 , 2017 , IF: 2.799 , 62/145 [Q2]
2016
Biocompatible Zr-based nanoscale MOFs coated with modified poly (epsilon-caprolactone) as anticancer drug carriers , , International Journal of Pharmaceutics , 509, 1-2, 208-218 , 2016 , IF: 3.994 , 43/253 [Q1]
Water coordination and dehydration processes in defective UiO-66 type metal organic frameworks , , CrystEngComm , 18 (37), 7056-7069 , 2016 , IF: 3.849 , 4/26 [Q1]
Origin of highly active metal–organic framework catalysts: defects? Defects! , , Dalton Transactions , 45, 4090-4099 , 2016 , IF: 4.177 , 10/46 [Q1]
2015
Mechanistic studies of aldol condensations in UiO-66 and UiO-66-NH2 metal organic frameworks , , Journal of Catalysis , 331, 1-12 , 2015 , IF: 7.354 , 4/135 [Q1]
Au@UiO-66: a base free oxidation catalyst , , RSC Advances , 5 (29), 22334–22342 , 2015 , IF: 3.289 , 48/163 [Q1]
Active site engineering in UiO-66 type metal-organic frameworks by intentional creation of defects: a theoretical rationalization , , CrystEngComm , 17 (2), 395-406 , 2015 , IF: 3.849 , 4/26 [Q1]
2014
First principle chemical kinetics in zeolites: The Methanol-to-Olefin process as a case study , , Chemical Society Reviews , 43 (21), 7326-7357 , 2014 , IF: 33.383 , 2/157 [Q1]
Water-soluble NHC-Cu catalysts: applications in click chemistry, bioconjugation and mechanistic analysis , , Organic & Biomolecular Chemistry , 12, 9350-9356 , 2014 , IF: 3.562 , 11/57 [Q1]
Catalytic Performance of Vanadium MIL-47 and Linker-Substituted Variants in the Oxidation of Cyclohexene: A Combined Theoretical and Experimental Approach , , ChemPlusChem , 79 (8), 1183–1197 , 2014 , IF: 2.997 , 43/157 [Q2]
Base catalytic activity of alkaline earth MOFs: a (micro)spectroscopic study of active site formation by the controlled transformation of structural anions , , Chemical Science , 5 (11), 4517-4524 , 2014 , IF: 9.211 , 14/157 [Q1]
Metal-dioxidoterephthalate MOFs of the MOF-74 type: microporous basic catalysts with well-defined active sites , , Journal of Catalysis , 317, 1–10 , 2014 , IF: 6.921 , 5/134 [Q1]
Vanadium Metal-Organic Frameworks: Structures and Applications , , New Journal of Chemistry , 38, 1853-1867 , 2014 , IF: 3.086 , 41/157 [Q2]
2013
New Functionalized Metal–Organic Frameworks MIL-47-X (X = −Cl, −Br, −CH3, −CF3, −OH, −OCH3): Synthesis, Characterization, and CO2 Adsorption Properties , , Journal of Physical Chemistry C , 117 (44), 22784–22796 , 2013 , IF: 4.835 , 29/251 [Q1]
Synthesis modulation as a tool to increase the catalytic activity of MOFs: the unique case of UiO-66(Zr) , , JACS (Journal of the American Chemical Society) , 135 (31), 11465–11468 , 2013 , IF: 11.444 , 10/148 [Q1]
Insight in the activity and diastereoselectivity of various Lewis acid catalysts for the citronellal cyclization , , Journal of Catalysis , 305, 118-129 , 2013 , IF: 6.073 , 4/133 [Q1]
On the thermodynamics of framework breathing: A free energy model for gas adsorption in MIL-53 , , Journal of Physical Chemistry C , 117, 11540-11554 , 2013 , IF: 4.835 , 29/251 [Q1]
New V-IV-Based Metal-Organic Framework Having Framework Flexibility and High CO2 Adsorption Capacity , , Inorganic Chemistry , 52 (1), 113-120 , 2013 , IF: 4.794 , 4/44 [Q1]
2012
Synthesis, characterization and sorption properties of NH2-MIL-47 , , Physical Chemistry Chemical Physics (PCCP) , 14, 15562–15570 , 2012 , IF: 3.829 , 6/34 [Q1]
Mechanistic insight into the cyclohexene epoxidation with VO(acac)(2) and tert-butyl hydroperoxide , , Journal of Catalysis , 294, 1-18 , 2012 , IF: 5.787 , 5/133 [Q1]
Ab initio parametrized force field for the flexible metal-organic framework MIL-53(Al) , , Journal of Chemical Theory and Computation (JCTC) , 8 (9), 3217-3231 , 2012 , IF: 5.309 , 3/34 [Q1]
Host-guest and guest-guest interactions between xylene isomers confined in the MIL-47(V) pore system , , Theoretical Chemistry Accounts , 131 (7) 1234-1246 , 2012 , IF: 2.233 , 62/134 [Q2]
Electronic effects of linker substitution on Lewis acid catalysis with Metal-organic frameworks , , Angewandte Chemie int. Ed. , 51(20), 4887-4890 , 2012 , IF: 13.734 , 7/152 [Q1]
Efficient Approach for the Computational Study of Alcohol and Nitrile Adsorption in H-ZSM-5 , , Journal of Physical Chemistry C , 116 (9), 5499-5508 , 2012 , IF: 4.814 , 26/239 [Q1]
The coordinatively saturated vanadium MIL-47 as a low leaching heterogeneous catalyst in the oxidation of cyclohexene , , Journal of Catalysis , 285 (1) 196-207 , 2012 , IF: 5.787 , 5/133 [Q1]
2011
Full Theoretical Cycle for both Ethene and Propene Formation during Methanol-to-Olefin Conversion in H-ZSM-5 , , ChemCatChem , 3 (1), 208-212 , 2011 , IF: 5.207 , 24/134 [Q2]
First principle kinetic studies of zeolite-catalyzed methylation reactions , , JACS (Journal of the American Chemical Society) , 133 (4), 888–899 , 2011 , IF: 9.907 , 11/152 [Q1]
2010
The remarkable catalytic activity of the saturated metal organic framework V-MIL-47 in the cyclohexeneoxidation , , Chemical Communications , 46, 5085-5087 , 2010 , IF: 5.787 , 17/147 [Q1]
Assembly of cyclic hydrocarbons from ethene and propene in acid zeolite catalysis to produce active catalytic sites for MTO conversion , , Journal of Catalysis , 271 (1), 67-78 , 2010 , IF: 5.415 , 4/135 [Q1]
2009
The effect of confined space on the growth of naphthalenic species in an H-SSZ-13 catalyst: a molecular modeling study , , ChemCatChem , 1 (3), 373-378 , 2009 , IF: 3.345
Dissertations
(D1) , Bridging the Gap between Experiment and Theory with First-Principles Chemical Kinetics: Unraveling Reaction Pathways within Metal-Organic Frameworks and Zeolites , , Supervisor(s): Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. Michel Waroquier , 07/11/2012
(D2) , Theoretical study on the genesis of new hydrocarbon pool compounds during MTO conversion in zeolites , , Supervisor(s): Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. Michel Waroquier , 2008
2015
Mechanistic studies of aldol condensations in UiO-66 and UiO-66-NH2 , , IAP work meeting of WP2 “Supramolecular catalysis, photocatalysis and advanced separations" , Leuven, Belgium , Mon, 11/05/2015
Intentional creation of defects within UiO-66 metal-organic frameworks: a theoretical rationalization , , Hybrid Materials 2015 , Sitges, Spain , Mon, 09/03/2015 to Fri, 13/03/2015
Au@UiO-66 : a base free oxidation catalyst , , 16th Netherlands' Catalysis and Chemistry Conference (NCCC-XVI) , Noordwijkerhout, The Netherlands , Mon, 02/03/2015 to Wed, 04/03/2015
Insight in the activity of UiO-66-NH2 for the aldol condensation , , XVIth Netherlands' Catalysis and Chemistry Conference (NCCC XV) , Noordwijkerhout, The Netherlands , Mon, 02/03/2015 to Wed, 04/03/2015
2014
Activity and selectivity for the aldol condensation on UiO-66 versus UiO-66-NH2 , , Winter School for Theoretical Chemistry and Spectroscopy , Han-sur-Lesse, Belgium , Mon, 08/12/2014 to Fri, 12/12/2014
Au@UiO-66: a base free oxidation catalyst , , DZA2014 , Ghent, Belgium , O4 , Tue, 07/10/2014 to Fri, 07/11/2014
Tailoring Metal-organic frameworks for adsorption applications , , E-MRS 2014 Spring Meeting , Lille, France , Mon, 26/05/2014 to Fri, 30/05/2014
Modeling aldol condensations in UiO-66 type materials , , ChemCys , Blankenberge, Belgium , Thu, 27/02/2014 to Fri, 28/02/2014
2013
Design of enantioselective catalysts in MOF architectures: a combined computational and experimental approach , , Congress on Catalysis Applied to. Fine Chemicals , Turku Finland , Sun, 16/06/2013 to Wed, 19/06/2013
Derivation of generic force field terms & Applications to describe thermodynamics of nanoporous materials , , IAP P7/05 Platform 3 meeting , Namur, Belgium , Thu, 10/01/2013
2012
Modeling Lewis acid catalyzed reactions in MOFs: How to solve the challenges? , , MOF2012 , Edinburgh, UK , p. 37 , Sun, 16/09/2012 to Wed, 19/09/2012
Electronic modification and controlled defect introduction improve the catalytic activity of Zr-MOFs , , MOF2012 , Edinburgh, UK , p. 121 , Sun, 16/09/2012 to Wed, 19/09/2012
2011
Modeling Lewis catalyzed reactions in Metal Organic Frameworks , , XIIth Netherlands' Catalysis and Chemistry Conference , Noordwijkerhout, The Netherlands , p. 120 , Mon, 28/02/2011 to Wed, 02/03/2011
2010
First principle kinetic studies of zeolite-catalyzed methylation reactions: towards kinetic accuracy for rate constants , , 1st International Workshop of the European Nanoporous Materials Institut e of Excellence (ENMIX) , Antwerp, Belgium , Mon, 04/10/2010 to Tue, 05/10/2010
Development of first principle based force fields to describe adsorption and diffusion in MOFs including lattice dynamics , , Metal Organic Frameworks (MOF 2010) , Marseille, France , Sun, 05/09/2010 to Wed, 08/09/2010
Development of vanadium-containing metal-organic frameworks as heterogeneous catalysts , , 10th International symposium on the Scientific Bases for the Preparation of Heterogeneous Catalysts (PREPA10) , Louvain-la-Neuve, Belgium , Sun, 11/07/2010 to Thu, 15/07/2010
Insights on the adsorption behavior of aromatics in MIL-47 and MIL-53 from a theoretical perspective , , 11th Netherlands Catalysis and Chemistry Conference (NCCC-XI) , Noordwijkerhout, The Netherlands , Mon, 01/03/2010 to Wed, 03/03/2010
Insights on the adsorption behavior of aromatics in MIL-47 and MIL-53 from a theoretical perspective , , The 11th Netherlands Catalysis and Chemistry Conference (NCCC XI) , Noordwijkerhout, The Netherlands , Mon, 01/03/2010 to Wed, 03/03/2010
2015
Active site genesis within UiO-66 type Metal-Organic Frameworks: a theoretical rationalization , , EUROMOF2015 , Potsdam am Templiner See (Berlin), Germany , Sun, 11/10/2015 to Wed, 14/10/2015
Mechanistic studies of reactions on UiO-66 type Metal-Organic Frameworks , , EUROMOF2015 , Potsdam am Templiner See (Berlin), Germany , Sun, 11/10/2015 to Wed, 14/10/2015
2014
Enhanced base catalytic activity of M2(BTC)(NO3)(DMF) via controlled structure modification , , DZA2014 , Ghent, Belgium , Tue, 07/10/2014
Theoretical study of aldol condensations on UiO-66 and UiO-66-NH2 , , DZA2014 , Ghent, Belgium , Tue, 07/10/2014
QuickFF: Toward a Generally Applicable Methodology to Quickly Derive Accurate Force Fields for Metal Organic Frameworks from ab Initio Input , , MOF2014 , Kobe, Japan , Sun, 28/09/2014 to Wed, 01/10/2014
Active site engineering of UiO-66 type metal-organic frameworks by intentional creation of defects: A theoretical rationalization , , IAP P7/05 , Louvain La Neuve, Belgium , Fri, 19/09/2014
Theoretical study of aldol condensations on UiO-66 and UiO-66-NH2 , , IAP P7/05 , Louvain La Neuve, Belgium , Fri, 19/09/2014
Active site engineering of Metal-Organic-Frameworks guided by molecular modeling , , Long time dynamics from short time simulations , Lugano, Switzerland , Wed, 12/03/2014 to Fri, 14/03/2014
Modeling aldol condensations in UiO-66 type materials , , XVth Netherlands' Catalysis and Chemistry Conference (NCCC XV) , Noordwijkerhout, The Netherlands , Mon, 10/03/2014 to Wed, 12/03/2014
Modeling aldol condensations in UiO-66 type materials , , MolSim2014 , Amsterdam, The Netherlands , Mon, 06/01/2014 to Fri, 17/01/2014
2013
Detail insight in the catalytic activity of UiO-66 type materials , , Annual IAP Meeting , Ghent, Belgium , Wed, 18/09/2013
Functionalized Metal-Organic Frameworks: MIL-47(V)+X : a computational investigation of its properties , , Annual IAP Meeting , Ghent, Belgium , Wed, 18/09/2013
Design of enantioselective catalysts in MOF architectures: a combined theoretical and experimental approach , , NCCC XIV , Noordwijkerhout, The Netherlands , Mon, 11/03/2013 to Wed, 13/03/2013
Immobilization of a homogeneous enantioselective catalysts on a large pore Metal-Organic Framework , , NCCC XIV , Noordwijkerhout, The Netherlands , Mon, 11/03/2013 to Wed, 13/03/2013
Modelling the effect of linker substituents on reactions in MOFs , , Hybrid Materials , Sorrento, Italy , Sun, 03/03/2013 to Thu, 07/03/2013
2012
Design of enantioselective catalysts in MOF architectures: a combined theoretical and experimental approach , , MOF2012 , Edinburgh UK , Sun, 16/09/2012 to Wed, 19/09/2012
Ab initio parametrised force field for the flexible Metal-Organic Framework MIL-53(Al) , , MOF2012 , Edinburgh, United Kingdom , Sun, 16/09/2012 to Wed, 19/09/2012
Synthesis, characterization, adsorption and catalytic properties of an amino functionalized Metal-Organic Framework: NH2-MIL-47 , , MOF2012 , Edinburgh UK , Sun, 16/09/2012 to Wed, 19/09/2012
A new approach towards basic metal-organic frameworks , , MOF2012 , Edinburgh, UK , Sun, 16/09/2012 to Wed, 19/09/2012
A new series of V IV based metal-organic frameworks having framework flexibility and high CO2 adsorption capacity , , MOF2012 , Edinburgh UK , Sun, 16/09/2012 to Wed, 19/09/2012
Empty host breathing profiles of MIL-53 type frameworks with various cations at the nodal points , , MOF2012 , Edinburgh UK , Sun, 16/09/2012 to Wed, 19/09/2012
Mechanistic investigation of the enantioselective titaniumtartrate catalyst , , ICTAC-14 , Vlissingen, The Netherlands , Tue, 26/06/2012 to Sat, 30/06/2012
Ab initio parametrized force field for the metal-organic framework MIL-53(Al) to study its framework flexibility , , ICTAC-14 , Vlissingen, The Netherlands , Tue, 26/06/2012 to Sat, 30/06/2012
Selectivity prediction for the citronellal cyclization on Cu3BTC2: a comparison between extended cluster and periodic calculations , , ICTAC-14 , Vlissingen, The Netherlands , Tue, 26/06/2012 to Sat, 30/06/2012
Selectivity prediction: making the comparison between extended cluster and periodic calculations , , ICAMM 2012 & VASP Workshop , Nantes, France , Mon, 11/06/2012 to Fri, 15/06/2012
Using density functional theory for estimating force field parameters , , DFTM2012 , Ghent University, Het Pand, Ghent, Belgium , Sun, 01/04/2012 to Fri, 06/04/2012
Synthesis of new Vanadium containing Metal Organic Frameworks (V-MOFs) for applications in oxidation catalysis and adsorption/separation processes , , Doctoral Symposium WE , Ghent Univeristy, Faculty of Science, Ghent, Belgium , Thu, 22/03/2012
Molecular modeling of the Enantioselective titaniumtartrate catalyst , , XIIIth Netherlands' Catalysis and Chemistry Conference (NCCC XIII) , Noordwijkerhout, The Netherlands , Mon, 05/03/2012 to Wed, 07/03/2012
Molecular modeling of the Enantioselective titaniumtartrate catalyst , , MolSim 2012 , Amsterdam, NL , Mon, 09/01/2012 to Fri, 20/01/2012
2011
Selectivity prediction for the citronellal cyclization on various catalysts , , IAP Annual Meeting , Leuven, Belgium , Mon, 21/11/2011 to Tue, 22/11/2011
Electronic effects of ligand substitution on Lewis acid catalysis with metal-organic frameworks , , IAP Annual Meeting , Leuven, Belgium , Mon, 21/11/2011 to Tue, 22/11/2011
A study of the effect of electron donating and electron withdrawing groups on the catalytic performance of V-MIL-47 , , 5th Int. FEZA Conference , Valencia, Spain , Sun, 03/07/2011 to Thu, 07/07/2011
Molecular modeling of enantioselective catalysis in chiral MOFs , , 5th Int. FEZA Conference , Valencia, Spain , Sun, 03/07/2011 to Thu, 07/07/2011
Effect of linker substituents on the epoxidation performance of V-MIL-47 , , 5th Int. FEZA Conference , Valencia, Spain , Sun, 03/07/2011 to Thu, 07/07/2011
Molecular modeling of enantioselective catalysis in chiral MOFs , , XIIth Netherlands' Catalysis and Chemistry Conference (NCCC XII) , Noordwijkerhout, The Netherlands , Mon, 28/02/2011 to Wed, 02/03/2011
Modelling citronellal cyclization in Cu3(BTC)2 , , XIIth Netherlands' Catalysis and Chemistry Conference (NCCC XII) , Noordwijkerhout, The Netherlands , Mon, 28/02/2011 to Wed, 02/03/2011
A study of the effect of electron donating and electron withdrawing groups on the catalytic performance of V-MIL-47 , , XIIth Netherlands' Catalysis and Chemistry Conference (NCCC XII) , Noordwijkerhout, The Netherlands , Mon, 28/02/2011 to Wed, 02/03/2011
2010
Metal Organic frameworks as catalysts for alkene epoxidations , , FirW PhD symposium 2010 , Ghent Univeristy, Faculty of Engineering, Ghent, Belgium , Wed, 01/12/2010
Modeling citronellal cyclization in Cu3BTC2 and UiO-66 , , IAP FS2 6/27 Annual Network Meeting , Brussels, Belgium , Mon, 29/11/2010 to Tue, 30/11/2010
How does alkene epoxidation with TBHP occur in MIL-47? , , MOF2010 conference , Marseille, France , Sun, 05/09/2010 to Wed, 08/09/2010
Diffusion and adsorption of aromatic guests in MOFs studied by ab initio and force field simulations including lattice dynamics , , MOF2010 conference , Marseille, France , Sun, 05/09/2010 to Wed, 08/09/2010
The catalytic performance of MIL-47 in the liquid phase oxidation of cyclohexene , , MOF2010 conference , Marseille, France , Sun, 05/09/2010 to Wed, 08/09/2010
Assessment of a computationally efficient protocol for the study of adsorption complexes in zeolites , , IZC16 & IMMS7 , Sorrento, Italy , Sun, 04/07/2010 to Fri, 09/07/2010
Development of metal organic frameworks as heterogeneous catalysts , , XIth Netherlands' Catalysis and Chemistry Conference (NCCC XI) , Noordwijkerhout, The Netherlands , Mon, 01/03/2010 to Wed, 03/03/2010
Theoretical study of adsorption complexes in H-ZSM-5 , , XIth Netherlands' Catalysis and Chemistry Conference (NCCC XI) , Noordwijkerhout, The Netherlands , Mon, 01/03/2010 to Wed, 03/03/2010
Theoretical validation of a fully functional route to both ethene and propene formation for MTO conversion in H-ZSM-5 , , Quantum Chemistry in Belgium 9th edition , Louvain-la-Neuve, Belgium , Tue, 26/01/2010
2009
Adsorption behaviour of xylene isomers in MIL-47 from a theoretical perspective , , inGAP NANOCAT Summerschool 2009 , Trondheim, Norway , Sun, 21/06/2009 to Fri, 26/06/2009
The adsorption behavior of xylene isomers in MIL-47 from a theoretical perspective , , Xth Netherlands' Catalysis and Chemistry Conference (NCCC X) , Noordwijkerhout, The Netherlands , Mon, 02/03/2009 to Wed, 04/03/2009
Theoretical verification of the alkene hydrocarbon pool cycle for MTO conversion in ZSM-5 , , Xth Netherlands' Catalysis and Chemistry Conference (NCCC X) , Noordwijkerhout, The Netherlands , Mon, 02/03/2009 to Wed, 04/03/2009
2008
Theoretical study on the genesis of new hydrocarbon pool compounds during MTO conversion in zeolites , , Annual meeting of the Dutch Zeolite Association , Brussels, Belgium , Fri, 31/10/2008
Theoretical study on the genesis of new hydrocarbon pool compounds during MTO conversion in zeolites , , 4th International FEZA Conference , Paris, France , Tue, 02/09/2008 to Sat, 06/09/2008
Theoretical study on the genesis of new hydrocarbon pool compounds during MTO conversion in zeolites , , IXth Netherlands' Catalysis and Chemistry Conference , Noordwijkerhout, The Netherlands , Mon, 03/03/2008 to Wed, 05/03/2008