Research Explorer

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Researcher

Matthias Vandichel

75 Results

2017

A robust molecular catalyst generated in situ for photo- and electrochemical water oxidation

Matthias VandichelKristof Van HeckeFrancis Verpoort

A1 Journal Article in CHEMSUSCHEM

Inserting CO2 into terminal alkynes via bis-(NHC)-metal complexes

Heriberto Díaz VelázquezMatthias VandichelFrancis Verpoort

A1 Journal Article in CATALYSIS LETTERS

2016

Biocompatible Zr-based nanoscale MOFs coated with modified poly (ε-caprolactone) as anticancer drug carriers

Karen LeusMatthias VandichelPascal Van Der Voort

A1 Journal Article in INTERNATIONAL JOURNAL OF PHARMACEUTICS

Origin of highly active metal-organic framework catalysts: defects? Defects!

Matthias Vandichel

A1 Journal Article in DALTON TRANSACTIONS

Water coordination and dehydration processes in defective UiO-66 type metal organic frameworks

Matthias VandichelJulianna HajekAn GhyselsArthur De VosMichel WaroquierVeronique Van Speybroeck

A1 Journal Article in CRYSTENGCOMM

2015

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

Matthias VandichelJulianna HajekMichel WaroquierVeronique Van Speybroeck

A1 Journal Article in CRYSTENGCOMM

Au@UiO-66 : a base free oxidation catalyst

Karen LeusMatthias VandichelMaria Dolores Esquivel MerinoDirk PoelmanMichel WaroquierVeronique Van SpeybroeckPascal Van Der Voort

Au@UiO-66 : a base free oxidation catalyst

Karen LeusMatthias VandichelMaria Dolores Esquivel MerinoDirk PoelmanMichel WaroquierVeronique Van SpeybroeckPascal Van Der Voort

A1 Journal Article in RSC ADVANCES

Mechanistic studies of aldol condensations in UiO-66 and UiO-66-NH2 metal organic frameworks

Julianna HajekMatthias VandichelMichel WaroquierVeronique Van Speybroeck

A1 Journal Article in JOURNAL OF CATALYSIS

2014

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

Matthias VandichelSamuel MoorsMichel WaroquierVeronique Van Speybroeck

Au@UiO-66 : a base free oxidation catalyst

Karen LeusMatthias VandichelDirk PoelmanMichel WaroquierVeronique Van SpeybroeckPascal Van Der Voort

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

Matthias VandichelKaren HemelsoetMichel WaroquierVeronique Van SpeybroeckDiederik Depla

A1 Journal Article in CHEMICAL SCIENCE

Catalytic performance of vanadium MIL-47 and linker-substituted variants in the oxidation of cyclohexene: a combined theoretical and experimental approach

Matthias VandichelShyam Prosad BiswasKaren LeusToon VerstraelenPascal Van Der VoortMichel WaroquierVeronique Van Speybroeck

A1 Journal Article in CHEMPLUSCHEM

First principle chemical kinetics in zeolites: the methanol-to-olefin process as a case study

Veronique Van SpeybroeckKristof De WispelaereJeroen Van der MynsbruggeMatthias VandichelKaren HemelsoetMichel Waroquier

A1 Journal Article in CHEMICAL SOCIETY REVIEWS

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

Matthias VandichelMichel WaroquierVeronique Van Speybroeck

A1 Journal Article in JOURNAL OF CATALYSIS

Modeling aldol condensations in UiO-66 type materials

Julianna HajekMatthias VandichelMichel WaroquierVeronique Van Speybroeck

Tailoring metal-organic frameworks for adsorption applications

Danny VanpouckeToon VerstraelenMatthias VandichelAn GhyselsKurt LejaeghereVeronique Van Speybroeck

Vanadium metal-organic frameworks : structures and applications

Pascal Van Der VoortKaren LeusYing-Ya LiuMatthias VandichelVeronique Van SpeybroeckMichel WaroquierShyam Prosad Biswas

A1 Journal Article in NEW JOURNAL OF CHEMISTRY

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

Heriberto Díaz VelázquezYara Ruiz GarciaMatthias VandichelAnnemieke MadderFrancis Verpoort

A1 Journal Article in ORGANIC & BIOMOLECULAR CHEMISTRY

2013

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

Thomas BogaertsMatthias VandichelYing-Ya LiuMichel WaroquierVeronique Van SpeybroeckPascal Van Der Voort

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

Thomas BogaertsMatthias VandichelPascal Van Der VoortVeronique Van Speybroeck

Functionalized metal-organic frameworks: MIL-47(V)+X: a computational investigation of its properties

Danny VanpouckeShyam Prosad BiswasToon VerstraelenMatthias VandichelKaren LeusYing-Ya LiuMichel WaroquierVeronique Van SpeybroeckPascal Van Der Voort

Insight in the activity and diastereoselectivity of various Lewis acid catalysts for the citronellal cyclization

Matthias VandichelMichel WaroquierVeronique Van Speybroeck

A1 Journal Article in JOURNAL OF CATALYSIS

Modelling the effect of linker substituents on reactions in MOFs

Matthias VandichelMichel WaroquierVeronique Van Speybroeck

New V-IV-based metal-organic framework having framework flexibility and high CO₂ adsorption capacity

Ying-Ya LiuMatthias VandichelKaren LeusShyam Prosad BiswasMichel WaroquierVeronique Van SpeybroeckPascal Van Der Voort

A1 Journal Article in INORGANIC CHEMISTRY

New functionalized metal-organic frameworks MIL-47-X (X = -Cl, -Br, -CH3, -CF3, -OH, -OCH3) : synthesis, characterization, and CO2 adsorption properties

Shyam Prosad BiswasDanny VanpouckeToon VerstraelenMatthias VandichelKaren LeusYing-Ya LiuMichel WaroquierVeronique Van SpeybroeckPascal Van Der Voort

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY C

On the thermodynamics of framework breathing: a free energy model for gas adsorption in MIL-53

An GhyselsLouis VanduyfhuysMatthias VandichelMichel WaroquierVeronique Van Speybroeck

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY C

2012

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

Ying-Ya LiuMatthias VandichelKaren LeusShyam Prosad BiswasMichel WaroquierVeronique Van SpeybroeckPascal Van Der Voort

Ab initio parameterized force field for the metal-organic framework MIL-53(Al)

Louis VanduyfhuysToon VerstraelenMatthias VandichelMichel WaroquierVeronique Van Speybroeck

Ab initio parametrised force field for the flexible metal-organic framework MIL-53(Al)

Louis VanduyfhuysToon VerstraelenMatthias VandichelMichel WaroquierVeronique Van Speybroeck

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

Louis VanduyfhuysToon VerstraelenMatthias VandichelMichel WaroquierVeronique Van Speybroeck

A1 Journal Article in JOURNAL OF CHEMICAL THEORY AND COMPUTATION

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

Louis VanduyfhuysToon VerstraelenMatthias VandichelMichel WaroquierVeronique Van Speybroeck

Bridging the gap between experiment and theory with first-principles chemical kinetics: unraveling reaction pathways within metal-organic frameworks and zeolites

Matthias VandichelVeronique Van SpeybroeckMichel Waroquier

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

Thomas BogaertsMatthias VandichelVeronique Van SpeybroeckPascal Van Der Voort

Efficient approach for the computational study of alcohol and nitrile adsorption in H-ZSM-5

Jeroen Van der MynsbruggeKaren HemelsoetMatthias VandichelMichel WaroquierVeronique Van Speybroeck

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY C

Electronic effects of linker substitution on Lewis acid catalysis with metal-organic frameworks

Matthias VandichelMichel WaroquierVeronique Van Speybroeck

A1 Journal Article in ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

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

Matthias VandichelMichel WaroquierVeronique Van Speybroeck

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

Louis VanduyfhuysToon VerstraelenMatthias VandichelAn GhyselsMichel WaroquierVeronique Van Speybroeck

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

An GhyselsMatthias VandichelToon VerstraelenMichel WaroquierVeronique Van Speybroeck

A1 Journal Article in THEORETICAL CHEMISTRY ACCOUNTS

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

Matthias VandichelKaren LeusPascal Van Der VoortMichel WaroquierVeronique Van Speybroeck

A1 Journal Article in JOURNAL OF CATALYSIS

Mechanistic investigation of the enantioselective titaniumtartrate catalyst

Thomas BogaertsMatthias VandichelMichel WaroquierPascal Van Der VoortVeronique Van Speybroeck

Modeling Lewis acid catalyzed reactions in MOFs : how to solve the challenges?

Matthias VandichelMichel WaroquierVeronique Van Speybroeck

Molecular modeling of the enantioselective titaniumtartrate catalyst

Thomas BogaertsMatthias VandichelMichel WaroquierPascal Van Der VoortVeronique Van Speybroeck

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

Matthias VandichelMichel WaroquierVeronique Van Speybroeck

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

Matthias VandichelMichel WaroquierVeronique Van Speybroeck

Synthesis, characterization and sorption properties of NH₂-MIL-47

Karen LeusMatthias VandichelGauthier VanhaelewynYing-Ya LiuGuy MarinIsabel Van DriesscheDiederik DeplaMichel WaroquierVeronique Van SpeybroeckPascal Van Der Voort

A1 Journal Article in PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

Karen LeusThomas BogaertsMatthias VandichelYing-Ya LiuMichel WaroquierVeronique Van SpeybroeckPascal Van Der Voort

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

Karen LeusMatthias VandichelYing-Ya LiuIlke MuylaertJan MusschootSteven PylHenk VrielinckFreddy CallensGuy MarinChristophe DetavernierMichel WaroquierVeronique Van SpeybroeckPascal Van Der Voort

A1 Journal Article in JOURNAL OF CATALYSIS

Using density functional theory for estimating force field parameters

Louis VanduyfhuysToon VerstraelenMatthias VandichelMichel WaroquierVeronique Van Speybroeck

2011

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

Karen LeusYing-Ya LiuMatthias VandichelIlke MuylaertGuy MarinMichel WaroquierVeronique Van SpeybroeckPascal Van Der Voort

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

Karen LeusMatthias VandichelYing-Ya LiuGuy MarinMichel WaroquierVeronique Van SpeybroeckPascal Van Der Voort

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

Matthias VandichelKaren LeusYing-Ya LiuMichel WaroquierPascal Van Der VoortVeronique Van Speybroeck

First principle kinetic studies of zeolite-catalyzed methylation reactions

Veronique Van SpeybroeckJeroen Van der MynsbruggeMatthias VandichelKaren HemelsoetDavid LesthaegheAn GhyselsGuy MarinMichel Waroquier

A1 Journal Article in JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Full theoretical cycle for both Ethene and Propene formation during Methanol-to-Olefin conversion in H-ZSM-5

David LesthaegheJeroen Van der MynsbruggeMatthias VandichelMichel WaroquierVeronique Van Speybroeck

A1 Journal Article in CHEMCATCHEM

Modeling Lewis catalyzed reactions in Metal Organic Frameworks

Matthias VandichelMichel WaroquierVeronique Van Speybroeck

Modelling citronellal cyclization in Cu3(BTC)2

Matthias VandichelMichel WaroquierVeronique Van Speybroeck

Molecular modeling of enantioselective catalysis in chiral MOFs

Thomas BogaertsMatthias VandichelMichel WaroquierPascal Van Der VoortVeronique Van Speybroeck

Molecular modeling of enantioselective catalysis in chiral MOFs

Thomas BogaertsMatthias VandichelMichel WaroquierPascal Van Der VoortVeronique Van Speybroeck

2010

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

Matthias VandichelDavid LesthaegheJeroen Van der MynsbruggeMichel WaroquierVeronique Van Speybroeck

A1 Journal Article in JOURNAL OF CATALYSIS

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

Jeroen Van der MynsbruggeKaren HemelsoetMatthias VandichelMichel WaroquierVeronique Van Speybroeck

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

Veronique Van SpeybroeckLouis VanduyfhuysToon VerstraelenMatthias VandichelJeroen Van der MynsbruggeMichel Waroquier

Development of metal organic frameworks as heterogeneous catalysts

Karen LeusIlke MuylaertMatthias VandichelVeronique Van SpeybroeckGuy MarinPascal Van Der Voort

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

Louis VanduyfhuysToon VerstraelenMatthias VandichelJeroen Van der MynsbruggeMichel WaroquierVeronique Van Speybroeck

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

Veronique Van SpeybroeckJeroen Van der MynsbruggeMatthias VandichelKaren HemelsoetDavid LesthaegheMichel Waroquier

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

Matthias VandichelKaren LeusIlke MuylaertPascal Van Der VoortMichel WaroquierVeronique Van Speybroeck

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

Matthias VandichelJeroen Van der MynsbruggeToon VerstraelenMichel WaroquierVeronique Van Speybroeck

Modeling citronellal cyclization in Cu3BTC2 and UiO-66

Matthias VandichelMichel WaroquierVeronique Van Speybroeck

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

Karen LeusIlke MuylaertMatthias VandichelGuy MarinMichel WaroquierVeronique Van SpeybroeckPascal Van Der Voort

The remarkable catalytic activity of the saturated metal organic framework V-MIL-47 in the cyclohexene oxidation

Karen LeusIlke MuylaertMatthias VandichelGuy MarinMichel WaroquierVeronique Van SpeybroeckPascal Van Der Voort

A1 Journal Article in CHEMICAL COMMUNICATIONS

Theoretical study of adsorption complexes in H-ZSM-5

Jeroen Van der MynsbruggeKaren HemelsoetMatthias VandichelMichel WaroquierVeronique Van Speybroeck

Theoretical validation of a fully functional route to both ethene and propene formation for methanol-to-olefin conversion in H-ZSM-5

Jeroen Van der MynsbruggeDavid LesthaegheMatthias VandichelVeronique Van SpeybroeckMichel Waroquier

2009

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

Matthias VandichelVeronique Van SpeybroeckMichel Waroquier

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

Karen HemelsoetArno NolletMatthias VandichelDavid LesthaegheVeronique Van SpeybroeckMichel Waroquier

A1 Journal Article in CHEMCATCHEM

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

Jeroen Van der MynsbruggeDavid LesthaegheMatthias VandichelVeronique Van SpeybroeckMichel Waroquier

2008

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

Matthias VandichelDavid LesthaegheVeronique Van SpeybroeckMichel Waroquier