Matthias Vandichel

Publications

A1 publications

Published

2017

[A1 Publication] A robust molecular catalyst generated in-situ for photo- and electrochemical water oxidation

Authors

Younus H. A.; Ahmad N.; Chughtai A. H.; Vandichel M.; Busch M.; Van Hecke K.; Yusubov M.; Song S.; Verpoort F.

ChemSusChem 2017. 10(5): 862-875.

http://dx.doi.org/10.1002/cssc.201601477

[A1 Publication] Inserting CO2 into Terminal Alkynes via Bis-(NHC)-Metal Complexes

Authors

Diaz-Velasquez H.; Wu Z.-X.; Vandichel M.; Verpoort F.

Catalysis Letters 2017. 147(2): 463-471.

http://dx.doi.org/10.1007/s10562-016-1920-5

2016

[A1 Publication] Biocompatible Zr-based nanoscale MOFs coated with modified poly (epsilon-caprolactone) as anticancer drug carriers

Authors

Filippousi M.; Turner S.; Leus K.; Siafaka P. I.; Tseligka E. D.; Vandichel M.; Nanaki S. G.; Vizirianakis I. S.; Bikiaris D. N.; Van Der Voort P.; Van Tendeloo G.

International Journal of Pharmaceutics 2016.

http://dx.doi.org/10.1016/j.ijpharm.2016.05.048

[A1 Publication] Water coordination and dehydration processes in defective UiO-66 type metal organic frameworks

Authors

Vandichel M.; Hajek J.; Ghysels A.; De Vos A.; Waroquier M.; Van Speybroeck V.

CrystEngComm 2016. 18(37): 7056 - 7069.

http://dx.doi.org/10.1039/c6ce01027j

[A1 Publication] Origin of highly active metal–organic framework catalysts: defects? Defects!

Authors

Canivet J.; Vandichel M.; Farrusseng D.

Dalton Transactions 2016.

2015

[A1 Publication] Mechanistic studies of aldol condensations in UiO-66 and UiO-66-NH2 metal organic frameworks

Authors

Hajek J.; Vandichel M.; Van de Voorde B.; Bueken B.; De Vos D.; Waroquier M.; Van Speybroeck V.

Journal of Catalysis 2015. 331: 1 - 12. IF: 7.3 20/142 [Q1]

http://dx.doi.org/10.1016/j.jcat.2015.08.015

[A1 Publication] Au@UiO-66: a base free oxidation catalyst

Authors

Leus K.; Concepcion P.; Vandichel M.; Meledina M.; Grirrane A.; Esquivel D.; Turner S.; Poelman D.; Waroquier M.; Van Speybroeck V.; Van Tendeloo G.; Garcia H.; Van Der Voort P.

RSC Advances 2015. 5(29): 22334 - 22342.

http://dx.doi.org/10.1039/C4RA16800C

[A1 Publication] Active site engineering in UiO-66 type metal-organic frameworks by intentional creation of defects: a theoretical rationalization

Authors

Vandichel M.; Hajek J.; Vermoortele F.; De Vos D.; Waroquier M.; Van Speybroeck V.

CrystEngComm 2015. 17(2): 395 - 406. IF: 3.849 5/26 [Q1]

http://dx.doi.org/10.1039/C4CE01672F

2014

[A1 Publication] First principle chemical kinetics in zeolites: The Methanol-to-Olefin process as a case study

Authors

Van Speybroeck V.; De Wispelaere K.; Van der Mynsbrugge J.; Vandichel M.; Hemelsoet K.; Waroquier M.

Chemical Society Reviews 2014. 43(21): 7326 - 7357. IF: 33.383 2/157 [Q1]

http://dx.doi.org/10.1039/C4CS00146J

[A1 Publication] Water-soluble NHC-Cu catalysts: applications in click chemistry, bioconjugation and mechanistic analysis

Authors

Diaz-Velasquez H.; Ruiz Garcia Y.; Vandichel M.; Madder A.; Verpoort F.

Organic & Biomolecular Chemistry 2014.

http://dx.doi.org/10.1039/C4OB01350F

[A1 Publication] Metal-dioxidoterephthalate MOFs of the MOF-74 type: microporous basic catalysts with well-defined active sites

Authors

Valvekens P.; Vandichel M.; Waroquier M.; Van Speybroeck V.; De Vos D.

Journal of Catalysis 2014. 317: 1 - 10. IF: 6.921 5/135 [Q1]

http://dx.doi.org/10.1016/j.jcat.2014.06.006

[A1 Publication] Catalytic Performance of Vanadium MIL-47 and Linker-Substituted Variants in the Oxidation of Cyclohexene: A Combined Theoretical and Experimental Approach

Authors

Vandichel M.; Biswas S.; Leus K.; Paier J.; Sauer J.; Verstraelen T.; Van Der Voort P.; Waroquier M.; Van Speybroeck V.

ChemPlusChem 2014. 79(8): 1183 - 1197. IF: 3.026 43/157 [Q2]

http://dx.doi.org/10.1002/cplu.201402007

[A1 Publication] Base catalytic activity of alkaline earth MOFs: a (micro)spectroscopic study of active site formation by the controlled transformation of structural anions

Authors

Valvekens P.; Jonckheere D.; De Baerdemaeker T.; Kubarev A.; Vandichel M.; Hemelsoet K.; Waroquier M.; Van Speybroeck V.; Smolders E.; Depla D.; Roeffaers D.; De Vos D.

Chemical Science 2014. 5(11): 4517-4524. IF: 9.211 14/157 [Q1]

http://dx.doi.org/10.1039/C4SC01731E

[A1 Publication] Vanadium Metal-Organic Frameworks: Structures and Applications

Authors

Van Der Voort P.; Leus K.; Liu Y.-Y.; Vandichel M.; Van Speybroeck V.; Waroquier M.; Biswas S.

New Journal of Chemistry 2014. 38(5): 1853 - 1867. IF: 3.086 42/157 [Q2]

http://dx.doi.org/10.1039/C3NJ01130E

2013

[A1 Publication] New Functionalized Metal–Organic Frameworks MIL-47-X (X = −Cl, −Br, −CH3, −CF3, −OH, −OCH3): Synthesis, Characterization, and CO2 Adsorption Properties

Authors

Biswas S.; Vanpoucke D. E. P.; Verstraelen T.; Vandichel M.; Couck S.; Leus K.; Liu Y.-Y.; Waroquier M.; Van Speybroeck V.; Van Der Voort P.

Journal of Physical Chemistry C 2013. 117(44): 22784 - 22796. IF: 4.835 29/251 [Q1]

http://dx.doi.org/10.1021/jp406835n

[A1 Publication] Insight in the activity and diastereoselectivity of various Lewis acid catalysts for the citronellal cyclization

Authors

Vandichel M.; Vermoortele F.; Cottenie S.; De Vos D.; Waroquier M.; Van Speybroeck V.

Journal of Catalysis 2013. 305: 118 - 129. IF: 6.5 50/185 [Q2]

http://dx.doi.org/10.1016/j.jcat.2013.04.017

[A1 Publication] Synthesis Modulation as a Tool To Increase the Catalytic Activity of Metal-Organic Frameworks: The Unique Case of UiO-66(Zr)

Authors

Vermoortele F.; Bueken B.; Le Bars G.; Van de Voorde B.; Vandichel M.; Houthoofd K.; Vimont A.; Daturi M.; Waroquier M.; Van Speybroeck V.; Kirschhock C.; De Vos D.

Journal of the American Chemical Society 2013. 135(31): 11465 - 11468. IF: 15.7 17/239 [Q1]

http://dx.doi.org/10.1021/ja405078u

[A1 Publication] On the thermodynamics of framework breathing: A free energy model for gas adsorption in MIL-53

Authors

Ghysels A.; Vanduyfhuys L.; Vandichel M.; Waroquier M.; Van Speybroeck V.; Smit B.

Journal of Physical Chemistry C 2013. 117(22): 11540 - 11554. IF: 3.2 95/185 [Q2]

http://dx.doi.org/10.1021/jp311601q

[A1 Publication] New V-IV-Based Metal-Organic Framework Having Framework Flexibility and High CO2 Adsorption Capacity

Authors

Liu Y.-Y.; Couck S.; Vandichel M.; Grzywa M.; Leus K.; Biswas S.; Volkmer D.; Gascon J.; Kapteijn F.; Waroquier M.; Van Speybroeck V.; Van Der Voort P.

Inorganic Chemistry 2013. 52(1): 113 - 120. IF: 4.794 4/45 [Q1]

http://dx.doi.org/10.1021/ic301338a

2012

[A1 Publication] Synthesis, characterization and sorption properties of NH2-MIL-47

Authors

Leus K.; Couck S.; Vandichel M.; Vanhaelewyn G.; Liu Y.-Y.; Marin G. B.; Van Driessche I.; Depla D.; Waroquier M.; Van Speybroeck V.; Van Der Voort P.

Physical Chemistry Chemical Physics 2012. 14(44): 15562 - 15570. IF: 2.9 116/185 [Q3]

http://dx.doi.org/10.1039/C2CP42137B

[A1 Publication] Mechanistic insight into the cyclohexene epoxidation with VO(acac)(2) and tert-butyl hydroperoxide

Authors

Vandichel M.; Leus K.; Van Der Voort P.; Waroquier M.; Van Speybroeck V.

Journal of Catalysis 2012. 294: 1 - 18. IF: 6.5 50/185 [Q2]

http://dx.doi.org/10.1016/j.jcat.2012.06.002

[A1 Publication] Ab initio parametrized force field for the flexible metal-organic framework MIL-53(Al)

Authors

Vanduyfhuys L.; Verstraelen T.; Vandichel M.; Waroquier M.; Van Speybroeck V.

Journal of Chemical Theory and Computation 2012. 8(9): 3217 - 3231. IF: 5.5 60/185 [Q2]

http://dx.doi.org/10.1021/ct300172m

[A1 Publication] Host-guest and guest-guest interactions between xylene isomers confined in the MIL-47(V) pore system

Authors

Ghysels A.; Vandichel M.; Verstraelen T.; van der Veen M. A.; De Vos D.; Waroquier M.; Van Speybroeck V.

Theoretical Chemistry Accounts 2012. 131(7): 1234.

http://dx.doi.org/10.1007/s00214-012-1234-7

[A1 Publication] Electronic effects of linker substitution on Lewis acid catalysis with Metal-organic frameworks

Authors

Vermoortele F.; Vandichel M.; Van de Voorde B.; Ameloot R.; Waroquier M.; Van Speybroeck V.; De Vos D.

Angewandte Chemie - International Edition 2012. 51(20): 4887 - 4890. IF: 17.0 15/239 [Q1]

http://dx.doi.org/10.1002/anie.201108565

[A1 Publication] Efficient Approach for the Computational Study of Alcohol and Nitrile Adsorption in H-ZSM-5

Authors

Van der Mynsbrugge J.; Hemelsoet K.; Vandichel M.; Waroquier M.; Van Speybroeck V.

Journal of Physical Chemistry C 2012. 116(9): 5499 - 5508. IF: 3.2 95/185 [Q2]

http://dx.doi.org/10.1021/jp2123828

[A1 Publication] The coordinatively saturated vanadium MIL-47 as a low leaching heterogeneous catalyst in the oxidation of cyclohexene

Authors

Leus K.; Vandichel M.; Liu Y.-Y.; Muylaert I.; Musschoot J.; Vrielinck H.; Callens F.; Marin G. B.; Detavernier C.; Khimyak Y. Z.; Waroquier M.; Van Speybroeck V.; Van Der Voort P.

Journal of Catalysis 2012. 285(1): 196 - 207. IF: 6.5 50/185 [Q2]

http://dx.doi.org/10.1016/j.jcat.2011.09.014

2011

[A1 Publication] First principle kinetic studies of zeolite-catalyzed methylation reactions

Authors

Van Speybroeck V.; Van der Mynsbrugge J.; Vandichel M.; Hemelsoet K.; Lesthaeghe D.; Ghysels A.; Marin G. B.; Waroquier M.

Journal of the American Chemical Society 2011. 133(4): 888 - 899. IF: 15.7 17/239 [Q1]

http://dx.doi.org/10.1021/ja1073992

[A1 Publication] Full Theoretical Cycle for both Ethene and Propene Formation during Methanol-to-Olefin Conversion in H-ZSM-5

Authors

Lesthaeghe D.; Van der Mynsbrugge J.; Vandichel M.; Waroquier M.; Van Speybroeck V.

ChemCatChem 2011. 3(1): 208 - 212.

http://dx.doi.org/10.1002/cctc.201000286

2010

[A1 Publication] The remarkable catalytic activity of the saturated metal organic framework V-MIL-47 in the cyclohexeneoxidation

Authors

Leus K.; Muylaert I.; Vandichel M.; Marin G. B.; Waroquier M.; Van Speybroeck V.; Van Der Voort P.

Chemical Communications 2010. 46(28): 5085 - 5087.

http://dx.doi.org/10.1039/C0CC01506G

[A1 Publication] Assembly of cyclic hydrocarbons from ethene and propene in acid zeolite catalysis to produce active catalytic sites for MTO conversion

Authors

Vandichel M.; Lesthaeghe D.; Van der Mynsbrugge J.; Waroquier M.; Van Speybroeck V.

Journal of Catalysis 2010. 271(1): 67 - 78. IF: 6.5 50/185 [Q2]

http://dx.doi.org/10.1016/j.jcat.2010.02.001

2009

[A1 Publication] The effect of confined space on the growth of naphthalenic species in a chabazite-type catalyst: a molecular modeling study

Authors

Hemelsoet K.; Nollet A.; Vandichel M.; Lesthaeghe D.; Van Speybroeck V.; Waroquier M.

ChemCatChem 2009. 1(3): 373 - 378. IF: - 121/121 [Q4]

http://dx.doi.org/10.1002/cctc.200900208

Other publications

Dissertations [MSc and PhD]

PhD thesis

2012

[PhD Thesis] Bridging the Gap between Experiment and Theory with First-Principles Chemical Kinetics: Unraveling Reaction Pathways within Metal-Organic Frameworks and Zeolites

Authors

Vandichel M.

Supervisor(s):

prof. dr. ir. Veronique Van Speybroeck

prof. dr. Michel Waroquier

Doctor of Engineering, 07/11/2012.

Master thesis

2008

[MSc Thesis] Theoretical study on the genesis of new hydrocarbon pool compounds during MTO conversion in zeolites

Authors

Vandichel M.

Supervisor(s):

prof. dr. ir. Veronique Van Speybroeck

prof. dr. Michel Waroquier

Master of Science in Chemical Engineering, 2008.

Talks

2015

[Talk] Mechanistic studies of aldol condensations in UiO-66 and UiO-66-NH2

Authors

Hajek J.; Vandichel M.; Van de Voorde B.; Bueken B.; De Vos D.; Waroquier M.; Van Speybroeck V.

IAP work meeting of WP2 “Supramolecular catalysis, photocatalysis and advanced separations", Leuven, BE, 11/05/2015

[Talk] Insight in the activity of UiO-66-NH2 for the aldol condensation

Authors

Hajek J.; Vandichel M.; Vermoortele F.; Waroquier M.; De Vos D.; Van Speybroeck V.

NCCC XVI, Noordwijkerhout, NL, 02/03/2015 - 04/03/2015

[Talk] Intentional creation of defects within UiO-66 metal-organic frameworks: a theoretical rationalization

Authors

Vandichel M.; Hajek J.; De Vos D.; Waroquier M.; Van Speybroeck V.

Hybrid Materials 2015, Sitges, ES, 09/03/2015 - 13/03/2015

[Talk] Au@UiO-66 : a base free oxidation catalyst

Authors

Leus K.; Concepcion P.; Meledina M.; Vandichel M.; Girrane A.; Esquivel D.; Turner S.; Poelman D.; Waroquier M.; Van Speybroeck V.

NCCC XVI, Noordwijkerhout, NL, 02/03/2015 - 04/03/2015

2014

[Talk] Activity and selectivity for the aldol condensation on UiO-66 versus UiO-66-NH2

Authors

Hajek J.; Vandichel M.; De Vos D.; Waroquier M.; Van Speybroeck V.

Winter School for Theoretical Chemistry and Spectroscopy, Han-sur-Lesse, BE, 08/12/2014 - 12/12/2014

[Talk] Au@UiO-66: a base free oxidation catalyst

Authors

Leus K.; Concepcion P.; Meledina M.; Vandichel M.; Grirrane A.; Turner S.; Poelman D.; Waroquier M.; Van Speybroeck V.; Van Tendeloo G.; Garcia H.; Van Der Voort P.

Dutch Zeolite Association “On Hybrids and Zeolites”, Ghent, BE, 07/10/2014

[Talk] Tailoring Metal-organic frameworks for adsorption applications

Authors

Vanpoucke D. E. P.; Verstraelen T.; Vandichel M.; Ghysels A.; Lejaeghere K.; Van Speybroeck V.

E-MRS 2014 Spring Meeting, Lille, FR, 26/05/2014 - 30/05/2014

[Talk] Modeling aldol condensations in UiO-66 type materials

Authors

Hajek J.; Vandichel M.; Vermoortele F.; Waroquier M.; De Vos D.; Van Speybroeck V.

12th Chemistry Conference for Young Scientists (ChemCys 2014), Blankenberge, BE, 27/02/2014 - 28/02/2014

2013

[Talk] Design of enantioselective catalysts in MOF architectures: a combined computational and experimental approach

Authors

Bogaerts T.; Vandichel M.; Liu Y.-Y.; Waroquier M.; Van Speybroeck V.; Van Der Voort P.

Congress on Catalysis Applied to. Fine Chemicals, Turku, FI, 16/06/2013 - 19/06/2013

[Talk] Derivation of generic force field terms & Applications to describe thermodynamics of nanoporous materials

Authors

Vanduyfhuys L.; Ghysels A.; Verstraelen T.; Vandichel M.; Waroquier M.; Van Speybroeck V.

IAP P7/05 Platform 3 meeting, Namur, BE, 10/01/2013

2012

[Talk] Electronic modification and controlled defect introduction improve the catalytic activity of Zr-MOFs

Authors

Vermoortele F.; Van de Voorde B.; Bueken B.; Ameloot R.; De Vos D.; Vandichel M.; Waroquier M.; Van Speybroeck V.

MOF2012, Edinburgh, GB, 16/09/2012 - 19/09/2012

[Talk] Modeling Lewis acid catalyzed reactions in MOFs: How to solve the challenges?

Authors

Vandichel M.; Vermoortele F.; Van de Voorde B.; Cottenie S.; De Vos D.; Waroquier M.; Van Speybroeck V.

MOF2012, Edinburgh, GB, 16/09/2012 - 19/09/2012

2011

[Talk] Modeling Lewis catalyzed reactions in Metal Organic Frameworks

Authors

Vandichel M.; Cottenie S.; Vermoortele F.; De Vos D.; Waroquier M.; Van Speybroeck V.

NCCC XII, Noordwijkerhout, NL, 28/02/2011 - 02/03/2011

2010

[Talk] First principle kinetic studies of zeolite-catalyzed methylation reactions: towards kinetic accuracy for rate constants

Authors

Van Speybroeck V.; Van der Mynsbrugge J.; Vandichel M.; Hemelsoet K.; Lesthaeghe D.; Waroquier M.

1st International Workshop of the European Nanoporous Materials Institut e of Excellence (ENMIX), Antwerp, BE, 04/10/2010 - 05/10/2010

[Talk] Development of first principle based force fields to describe adsorption and diffusion in MOFs including lattice dynamics

Authors

Van Speybroeck V.; Vanduyfhuys L.; Verstraelen T.; Vandichel M.; Van der Mynsbrugge J.; Waroquier M.

Metal Organic Frameworks (MOF 2010), Marseille, FR, 05/09/2010 - 08/09/2010

[Talk] Development of vanadium-containing metal-organic frameworks as heterogeneous catalysts

Authors

Leus K.; Vandichel M.; Verberckmoes A.; Van Speybroeck V.; Marin G. B.; Van Der Voort P.

10th International symposium on the Scientific Bases for the Preparation of Heterogeneous Catalysts (PREPA10), Louvain-la-Neuve, BE, 11/07/2010 - 15/07/2010

[Talk] Insights on the adsorption behavior of aromatics in MIL-47 and MIL-53 from a theoretical perspective

Authors

Vandichel M.; Van der Mynsbrugge J.; Verstraelen T.; Maes M.; Alaerts L.; De Vos D.; Waroquier M.

NCCC XI, Noordwijkerhout, NL, 01/03/2010 - 03/03/2010

Posters

2015

[Poster] Mechanistic studies of reactions on UiO-66 type Metal-Organic Frameworks

Authors

Hajek J.; Vandichel M.; Waroquier M.; Van Speybroeck V.; Van de Voorde B.; Bueken B.; De Vos D.

EuroMOF2015: 1st European Conference on Metal Organic Frameworks and Porous Polymers, Potsdam, DE, 11/10/2015 - 14/10/2015

[Poster] Active site genesis within UiO-66 type Metal-Organic Frameworks: a theoretical rationalization

Authors

Vandichel M.; Hajek J.; Waroquier M.; Van Speybroeck V.; De Vos D.

EuroMOF2015: 1st European Conference on Metal Organic Frameworks and Porous Polymers, Potsdam, DE, 11/10/2015 - 14/10/2015

2014

[Poster] Theoretical study of aldol condensations on UiO-66 and UiO-66-NH2

Authors

Hajek J.; Vandichel M.; Vermoortele F.; Waroquier M.; De Vos D.; Van Speybroeck V.

Dutch Zeolite Association “On Hybrids and Zeolites”, Ghent, BE, 07/10/2014

[Poster] Enhanced base catalytic activity of M2(BTC)(NO3)(DMF) via controlled structure modification

Authors

Jonckheere D.; Valvekens P.; De Baerdemaeker T.; Kubarev A.; Vandichel M.; Hemelsoet K.; Waroquier M.; Van Speybroeck V.; Roeffaers M.; De Vos D.

Dutch Zeolite Association “On Hybrids and Zeolites”, Ghent, BE, 07/10/2014

[Poster] QuickFF: Toward a Generally Applicable Methodology to Quickly Derive Accurate Force Fields for Metal Organic Frameworks from ab Initio Input

Authors

Vanduyfhuys L.; Verstraelen T.; Vandichel M.; Waroquier M.; Van Speybroeck V.

MOF2014, Kobe, JP, 28/09/2014 - 01/10/2014

[Poster] Active site engineering of UiO-66 type metal-organic frameworks by intentional creation of defects: A theoretical rationalization

Authors

Vandichel M.; Hajek J.; De Vos D.; Waroquier M.; Van Speybroeck V.

Annual IAP Meeting (P7/05), Louvain-la-Neuve, BE, 19/09/2014

[Poster] Theoretical study of aldol condensations on UiO-66 and UiO-66-NH2

Authors

Hajek J.; Vandichel M.; Vermoortele F.; Waroquier M.; De Vos D.; Van Speybroeck V.

Annual IAP Meeting (P7/05), Louvain-la-Neuve, BE, 19/09/2014

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

Authors

Vandichel M.; Moors S. L.; Vermoortele F.; De Vos D.; Waroquier M.; Van Speybroeck V.

Long time dynamics from short time simulations, Lugano, CH, 12/03/2014 - 14/03/2014

[Poster] Modeling aldol condensations in UiO-66 type materials

Authors

Hajek J.; Vandichel M.; Vermoortele F.; Waroquier M.; De Vos D.; Van Speybroeck V.

XVth Netherlands' Catalysis and Chemistry Conference (NCCC XV), Noordwijkerhout, NL, 10/03/2014

[Poster] Modeling aldol condensations in UiO-66 type materials

Authors

Hajek J.; Vandichel M.; Vermoortele F.; De Vos D.; Waroquier M.; Van Speybroeck V.

MolSim 2014, Amsterdam, NL, 06/01/2014 - 17/01/2014

2013

[Poster] Detail insight in the catalytic activity of UiO-66 type materials

Authors

Vandichel M.; Hajek J.; Vermoortele F.; Waroquier M.; De Vos D.; Van Speybroeck V.

Annual IAP Meeting (2013), Ghent, BE, 18/09/2013

[Poster] Functionalized Metal-Organic Frameworks: MIL-47(V)+X : a computational investigation of its properties

Authors

Vanpoucke D. E. P.; Biswas S.; Verstraelen T.; Vandichel M.; Couck S.; Leus K.; Liu Y.-Y.; Waroquier M.; Van Speybroeck V.; Denayer J. F. M.; Van Der Voort P.

Annual IAP Meeting (2013), Ghent, BE, 18/09/2013

[Poster] Immobilization of a homogeneous enantioselective catalysts on a large pore Metal-Organic Framework

Authors

Aelbrecht Y.; Bogaerts T.; Vandichel M.; Hemelsoet K.; Van Der Voort P.; Van Speybroeck V.

NCCC XIV, Noordwijkerhout, NL, 11/03/2013 - 13/03/2013

[Poster] Design of enantioselective catalysts in MOF architectures: a combined theoretical and experimental approach

Authors

Bogaerts T.; Vandichel M.; Van Der Voort P.; Van Speybroeck V.

NCCC XIV, Noordwijkerhout, NL, 11/03/2013 - 13/03/2013

[Poster] Modelling the effect of linker substituents on reactions in MOFs

Authors

Vandichel M.; Waroquier M.; Van Speybroeck V.

Hybrid Materials 2013, Sorrento, IT, 03/03/2013 - 07/03/2013

2012

[Poster] Empty host breathing profiles of MIL-53 type frameworks with various cations at the nodal points

Authors

Vanduyfhuys L.; Verstraelen T.; Vandichel M.; Ghysels A.; Waroquier M.; Van Speybroeck V.

MOF2012, Edinburgh, GB, 16/09/2012 - 19/09/2012

[Poster] Design of enantioselective catalysts in MOF architectures: a combined theoretical and experimental approach

Authors

Bogaerts T.; Vandichel M.; Van Speybroeck V.; Van Der Voort P.

MOF2012, Edinburgh, GB, 16/09/2012 - 19/09/2012

[Poster] A new approach towards basic metal-organic frameworks

Authors

Valvekens P.; Vandichel M.; Waroquier M.; Van Speybroeck V.; De Vos D.

MOF2012, Edinburgh, GB, 16/09/2012 - 19/09/2012

[Poster] Ab initio parametrised force field for the flexible Metal-Organic Framework MIL-53(Al)

Authors

Vanduyfhuys L.; Verstraelen T.; Vandichel M.; Waroquier M.; Van Speybroeck V.

MOF2012, Edinburgh, GB, 16/09/2012 - 19/09/2012

[Poster] A new series of V IV based metal-organic frameworks having framework flexibility and high CO2 adsorption capacity

Authors

Liu Y.-Y.; Couck S.; Vandichel M.; Grzywa M.; Leus K.; Biswas S.; Volkmer D.; Gascon J.; Kapteijn F.; Waroquier M.; Van Speybroeck V.; Van Der Voort P.

MOF2012, Edinburgh, GB, 16/09/2012 - 19/09/2012

[Poster] Synthesis, characterization, adsorption and catalytic properties of an amino functionalized Metal-Organic Framework: NH2-MIL-47

Authors

Leus K.; Couck S.; Bogaerts T.; Vandichel M.; Liu Y.-Y.; Waroquier M.; Van Speybroeck V.; Denayer J. F. M.; Van Der Voort P.

MOF2012, Edinburgh, GB, 16/09/2012 - 19/09/2012

[Poster] Ab initio parametrized force field for the metal-organic framework MIL-53(Al) to study its framework flexibility

Authors

Vanduyfhuys L.; Verstraelen T.; Vandichel M.; Waroquier M.; Van Speybroeck V.

ICTAC-14, Koudekerke/Vlissingen, NL, 26/06/2012 - 30/06/2012

[Poster] Mechanistic investigation of the enantioselective titaniumtartrate catalyst

Authors

Bogaerts T.; Vandichel M.; Waroquier M.; Van Der Voort P.; Van Speybroeck V.

ICTAC-14, Koudekerke/Vlissingen, NL, 26/06/2012 - 30/06/2012

[Poster] Selectivity prediction for the citronellal cyclization on Cu3BTC2: a comparison between extended cluster and periodic calculations

Authors

Vandichel M.; Vermoortele F.; Cottenie S.; De Vos D.; Waroquier M.; Van Speybroeck V.

ICTAC-14, Koudekerke/Vlissingen, NL, 26/06/2012 - 30/06/2012

[Poster] Selectivity prediction: making the comparison between extended cluster and periodic calculations

Authors

Vandichel M.; Vermoortele F.; Cottenie S.; De Vos D.; Waroquier M.; Van Speybroeck V.

ICAMM 2012 & VASP Workshop, Nantes, FR, 11/06/2012 - 16/06/2012

[Poster] Using density functional theory for estimating force field parameters

Authors

Vanduyfhuys L.; Verstraelen T.; Vandichel M.; Waroquier M.; Van Speybroeck V.

DFTM2012, Ghent, BE, 01/04/2012 - 06/04/2012

[Poster] Synthesis of new Vanadium containing Metal Organic Frameworks (V-MOFs) for applications in oxidation catalysis and adsorption/separation processes

Authors

Leus K.; Vandichel M.

Faculty of Science Doctoral Symposium 2012, Ghent, BE, 22/03/2012

[Poster] Molecular modeling of the Enantioselective titaniumtartrate catalyst

Authors

Bogaerts T.; Vandichel M.; Waroquier M.; Van Der Voort P.; Van Speybroeck V.

NCCC XIII, Noordwijkerhout, NL, 05/03/2012 - 07/03/2012

[Poster] Molecular modeling of the Enantioselective titaniumtartrate catalyst

Authors

Bogaerts T.; Vandichel M.; Waroquier M.; Van Der Voort P.; Van Speybroeck V.

MolSim 2012, Amsterdam, NL, 09/01/2012 - 20/01/2012

2011

[Poster] Electronic effects of ligand substitution on Lewis acid catalysis with metal-organic frameworks

Authors

Vandichel M.; Vermoortele F.; Van de Voorde B.; Ameloot R.; De Vos D.; Waroquier M.; Van Speybroeck V.

IAP Annual Meeting 2011, Leuven, BE, 21/11/2011 - 22/11/2011

[Poster] Selectivity prediction for the citronellal cyclization on various catalysts

Authors

Vandichel M.; Cottenie S.; Vermoortele F.; De Vos D.; Waroquier M.; Van Speybroeck V.

Belgium Science Policy (Belspo)–Annual Meeting for Interuniversity Attraction Poles (IUAP) (2011), Leuven, BE, 21/11/2011 - 22/11/2011

[Poster] A study of the effect of electron donating and electron withdrawing groups on the catalytic performance of V-MIL-47

Authors

Leus K.; Vandichel M.; Liu Y.-Y.; Marin G. B.; Waroquier M.; Van Speybroeck V.; Van Der Voort P.

5th International FEZA conference, Valencia, ES, 03/07/2011 - 07/07/2011

[Poster] Effect of linker substituents on the epoxidation performance of V-MIL-47

Authors

Vandichel M.; Leus K.; Liu Y.-Y.; Waroquier M.; Van Der Voort P.; Van Speybroeck V.

5th International FEZA conference, Valencia, ES, 03/07/2011 - 07/07/2011

[Poster] Molecular modeling of enantioselective catalysis in chiral MOFs

Authors

Bogaerts T.; Vandichel M.; Waroquier M.; Van Der Voort P.; Van Speybroeck V.

NCCC XII, Noordwijkerhout, NL, 28/02/2011 - 02/03/2011

[Poster] Molecular modeling of enantioselective catalysis in chiral MOFs

Authors

Bogaerts T.; Vandichel M.; Waroquier M.; Van Der Voort P.; Van Speybroeck V.

5th International FEZA conference, Valencia, ES, 03/07/2011 - 07/07/2011

[Poster] A study of the effect of electron donating and electron withdrawing groups on the catalytic performance of V-MIL-47

Authors

Leus K.; Liu Y.-Y.; Vandichel M.; Muylaert I.; Marin G. B.; Waroquier M.; Van Speybroeck V.; Van Der Voort P.

NCCC XII, Noordwijkerhout, NL, 28/02/2011 - 02/03/2011

[Poster] Modelling citronellal cyclization in Cu3(BTC)2

Authors

Cottenie S.; Vandichel M.; Vermoortele F.; De Vos D.; Waroquier M.; Van Speybroeck V.

NCCC XII, Noordwijkerhout, NL, 28/02/2011 - 02/03/2011

2010

[Poster] Metal Organic frameworks as catalysts for alkene epoxidations

Authors

Vandichel M.

FirW PhD symposium 2010, Ghent, BE, 01/12/2010

[Poster] Modeling citronellal cyclization in Cu3BTC2 and UiO-66

Authors

Vandichel M.; Cottenie S.; Vermoortele F.; De Vos D.; Waroquier M.; Van Speybroeck V.

IAP FS2 6/27 Annual Network Meeting, Brussels, BE, 29/11/2010 - 30/11/2010

[Poster] The catalytic performance of MIL-47 in the liquid phase oxidation of cyclohexene

Authors

Leus K.; Muylaert I.; Vandichel M.; Marin G. B.; Waroquier M.; Van Speybroeck V.; Van Der Voort P.

2nd International Conference on Metal-Organic Frameworks and Open Framework Compounds (MOF2010), Marseille, FR, 05/09/2010 - 08/09/2010

[Poster] How does alkene epoxidation with TBHP occur in MIL-47?

Authors

Vandichel M.; Leus K.; Muylaert I.; Van Der Voort P.; Waroquier M.; Van Speybroeck V.

2nd International Conference on Metal-Organic Frameworks and Open Framework Compounds (MOF2010), Marseille, FR, 05/09/2010 - 08/09/2010

[Poster] Diffusion and adsorption of aromatic guests in MOFs studied by ab initio and force field simulations including lattice dynamics

Authors

Vanduyfhuys L.; Verstraelen T.; Vandichel M.; Van der Mynsbrugge J.; Waroquier M.; Van Speybroeck V.

Metal Organic Frameworks (MOF 2010), Marseille, FR, 05/09/2010 - 08/09/2010

[Poster] Assessment of a computationally efficient protocol for the study of adsorption complexes in zeolites

Authors

Van der Mynsbrugge J.; Hemelsoet K.; Vandichel M.; Waroquier M.; Van Speybroeck V.

IZC16 & IMMS7 (2010), Sorrento, IT, 04/07/2010 - 09/07/2010

[Poster] Theoretical study of adsorption complexes in H-ZSM-5

Authors

Van der Mynsbrugge J.; Hemelsoet K.; Vandichel M.; Waroquier M.; Van Speybroeck V.

NCCC XI, Noordwijkerhout, NL, 01/03/2010 - 03/03/2010

[Poster] Development of metal organic frameworks as heterogeneous catalysts

Authors

Leus K.; Muylaert I.; Vandichel M.; Van Speybroeck V.; Marin G. B.; Van Der Voort P.

NCCC XI, Noordwijkerhout, NL, 01/03/2010 - 03/03/2010

[Poster] Theoretical validation of a fully functional route to both ethene and propene formation for MTO conversion in H-ZSM-5

Authors

Van der Mynsbrugge J.; Lesthaeghe D.; Vandichel M.; Waroquier M.; Van Speybroeck V.

Quantum Chemistry in Belgium 9th edition (QCB9), Louvain-la-Neuve, BE, 26/01/2010

2009

[Poster] Adsorption behaviour of xylene isomers in MIL-47 from a theoretical perspective

Authors

Vandichel M.; Van Speybroeck V.; Verstraelen T.; Alaerts L.; De Vos D.; Waroquier M.

InGAP NANOCAT Summerschool 2009, Trondheim, NO, 21/06/2009 - 26/06/2009

[Poster] The adsorption behavior of xylene isomers in MIL-47 from a theoretical perspective

Authors

Vandichel M.; Van Speybroeck V.; Alaerts L.; De Vos D.; Waroquier M.

Xth Netherlands' Catalysis and Chemistry Conference (NCCC X), Noordwijkerhout, NL, 02/03/2009 - 04/03/2009

[Poster] Theoretical verification of the alkene hydrocarbon pool cycle for MTO conversion in ZSM-5

Authors

Van der Mynsbrugge J.; Lesthaeghe D.; Vandichel M.; Van Speybroeck V.; Waroquier M.

Xth Netherlands' Catalysis and Chemistry Conference (NCCC X), Noordwijkerhout, NL, 02/03/2009 - 04/03/2009

2008

[Poster] Theoretical study on the genesis of new hydrocarbon pool compounds during MTO conversion in zeolites

Authors

Vandichel M.; Lesthaeghe D.; Van Speybroeck V.; Waroquier M.

Annual meeting of the Dutch Zeolite Association 2008, Brussels, BE, 31/10/2008

Contact information

Technologiepark-Zwijnaarde 46
9052 Zwijnaarde
Belgium

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Matthias Vandichel

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2012

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2008

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