Works matching AU Van Speybroeck, Veronique

Results: 126

Electronic Effects of Linker Substitution on Lewis Acid Catalysis with Metal-Organic Frameworks.

Published in:

Angewandte Chemie, 2012, v. 124, n. 20, p. 4971, doi. 10.1002/ange.201108565

By:

Vermoortele, Frederik;
Vandichel, Matthias;
Van de Voorde, Ben;
Ameloot, Rob;
Waroquier, Michel;
Van Speybroeck, Veronique;
De Vos, Dirk E.

Publication type:

Article

Scope and Mechanism of the (4+3) Cycloaddition Reaction of Furfuryl Cations.

Published in:

Angewandte Chemie, 2011, v. 123, n. 50, p. 12196, doi. 10.1002/ange.201104930

By:

Winne, Johan M.;
Catak, Saron;
Waroquier, Michel;
Van Speybroeck, Veronique

Publication type:

Article

Rücktitelbild: Scope and Mechanism of the (4+3) Cycloaddition Reaction of Furfuryl Cations (Angew. Chem. 50/2011).

Published in:

Angewandte Chemie, 2011, v. 123, n. 50, p. 12316, doi. 10.1002/ange.201106645

By:

Winne, Johan M.;
Catak, Saron;
Waroquier, Michel;
Van Speybroeck, Veronique

Publication type:

Article

The impact of lattice vibrations on the macroscopic breathing behavior of MIL-53(Al).

Published in:

Zeitschrift für Kristallographie. Crystalline Materials, 2019, v. 234, n. 7/8, p. 529, doi. 10.1515/zkri-2018-2154

By:

Hoffman, Alexander E.J.;
Wieme, Jelle;
Rogge, Sven M.J.;
Vanduyfhuys, Louis;
Van Speybroeck, Veronique

Publication type:

Article

Water motifs in zirconium metal-organic frameworks induced by nanoconfinement and hydrophilic adsorption sites.

Published in:

Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-54358-z

By:

Lamaire, Aran;
Wieme, Jelle;
Vandenhaute, Sander;
Goeminne, Ruben;
Rogge, Sven M. J.;
Van Speybroeck, Veronique

Publication type:

Article

Triazolinediones enable ultrafast and reversible click chemistry for the design of dynamic polymer systems.

Published in:

Nature Chemistry, 2014, v. 6, n. 9, p. 815, doi. 10.1038/nchem.2023

By:

Billiet, Stijn;
De Bruycker, Kevin;
Driessen, Frank;
Goossens, Hannelore;
Van Speybroeck, Veronique;
Winne, Johan M.;
Du Prez, Filip E.

Publication type:

Article

Synthesis, Structural Characterization, and Catalytic Performance of a Vanadium-Based Metal-Organic Framework (COMOC-3).

Published in:

European Journal of Inorganic Chemistry, 2012, v. 2012, n. 16, p. 2819, doi. 10.1002/ejic.201101099

By:

Liu, Ying-Ya;
Leus, Karen;
Grzywa, Maciej;
Weinberger, David;
Strubbe, Katrien;
Vrielinck, Henk;
Van Deun, Rik;
Volkmer, Dirk;
Van Speybroeck, Veronique;
Van Der Voort, Pascal

Publication type:

Article

The Application of Porous Organic Polymers as Metal Free Photocatalysts in Organic Synthesis.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 29, p. 1, doi. 10.1002/chem.202400311

By:

Debruyne, Maarten;
Van Der Voort, Pascal;
Van Speybroeck, Veronique;
Stevens, Christian V.

Publication type:

Article

How Water and Ion Mobility Affect the NMR Fingerprints of the Hydrated JBW Zeolite: A Combined Computational‐Experimental Investigation.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 68, p. 1, doi. 10.1002/chem.202202621

By:

Vanlommel, Siebe;
Hoffman, Alexander E. J.;
Smet, Sam;
Radhakrishnan, Sambhu;
Asselman, Karel;
Chandran, C. Vinod;
Breynaert, Eric;
Kirschhock, Christine E. A.;
Martens, Johan A.;
Van Speybroeck, Veronique

Publication type:

Article

Frontispiece: Overview of N‐Rich Antennae Investigated in Lanthanide‐Based Temperature Sensing.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 25, p. 1, doi. 10.1002/chem.202182562

By:

Vanden Bussche, Flore;
Kaczmarek, Anna M.;
Van Speybroeck, Veronique;
Van Der Voort, Pascal;
Stevens, Christian V.

Publication type:

Article

Overview of N‐Rich Antennae Investigated in Lanthanide‐Based Temperature Sensing.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 25, p. 7214, doi. 10.1002/chem.202100007

By:

Vanden Bussche, Flore;
Kaczmarek, Anna M.;
Van Speybroeck, Veronique;
Van Der Voort, Pascal;
Stevens, Christian V.

Publication type:

Article

A Comparative Study on the Photophysical Properties of Anthocyanins and Pyranoanthocyanins.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 19, p. 5956, doi. 10.1002/chem.202004639

By:

Phan, Kim;
De Meester, Steven;
Raes, Katleen;
De Clerck, Karen;
Van Speybroeck, Veronique

Publication type:

Article

Super‐Oxidizing Covalent Triazine Framework Electrocatalyst for Two‐Electron Water Oxidation to H2O2.

Published in:

Angewandte Chemie, 2023, v. 135, n. 47, p. 1, doi. 10.1002/ange.202313836

By:

Khan, Ruqia;
Chakraborty, Jeet;
Singh Rawat, Kuber;
Morent, Rino;
De Geyter, Nathalie;
Van Speybroeck, Veronique;
Van Der Voort, Pascal

Publication type:

Article

Pyrene‐Based Covalent Organic Frameworks for Photocatalytic Hydrogen Peroxide Production.

Published in:

Angewandte Chemie, 2023, v. 135, n. 19, p. 1, doi. 10.1002/ange.202216719

By:

Sun, Jiamin;
Sekhar Jena, Himanshu;
Krishnaraj, Chidharth;
Singh Rawat, Kuber;
Abednatanzi, Sara;
Chakraborty, Jeet;
Laemont, Andreas;
Liu, Wanlu;
Chen, Hui;
Liu, Ying‐Ya;
Leus, Karen;
Vrielinck, Henk;
Van Speybroeck, Veronique;
Van Der Voort, Pascal

Publication type:

Article

Titelbild: Experimental and Theoretical Evidence for the Promotional Effect of Acid Sites on the Diffusion of Alkenes through Small‐Pore Zeolites (Angew. Chem. 18/2021).

Published in:

Angewandte Chemie, 2021, v. 133, n. 18, p. 9813, doi. 10.1002/ange.202103009

By:

Cnudde, Pieter;
Redekop, Evgeniy A.;
Dai, Weili;
Porcaro, Natale G.;
Waroquier, Michel;
Bordiga, Silvia;
Hunger, Michael;
Li, Landong;
Olsbye, Unni;
Van Speybroeck, Veronique

Publication type:

Article

Experimental and Theoretical Evidence for the Promotional Effect of Acid Sites on the Diffusion of Alkenes through Small‐Pore Zeolites.

Published in:

Angewandte Chemie, 2021, v. 133, n. 18, p. 10104, doi. 10.1002/ange.202017025

By:

Cnudde, Pieter;
Redekop, Evgeniy A.;
Dai, Weili;
Porcaro, Natale G.;
Waroquier, Michel;
Bordiga, Silvia;
Hunger, Michael;
Li, Landong;
Olsbye, Unni;
Van Speybroeck, Veronique

Publication type:

Article

Quantifying the Likelihood of Structural Models through a Dynamically Enhanced Powder X‐Ray Diffraction Protocol.

Published in:

Angewandte Chemie, 2021, v. 133, n. 16, p. 8995, doi. 10.1002/ange.202017153

By:

Borgmans, Sander;
Rogge, Sven M. J.;
De Vos, Juul S.;
Stevens, Christian V.;
Van Der Voort, Pascal;
Van Speybroeck, Veronique

Publication type:

Article

Rücktitelbild: Brønsted Acid Catalyzed Tandem Defunctionalization of Biorenewable Ferulic acid and Derivates into Bio‐Catechol (Angew. Chem. 8/2020).

Published in:

Angewandte Chemie, 2020, v. 132, n. 8, p. 3364, doi. 10.1002/ange.201915926

By:

Bomon, Jeroen;
Van Den Broeck, Elias;
Bal, Mathias;
Liao, Yuhe;
Sergeyev, Sergey;
Van Speybroeck, Veronique;
Sels, Bert F.;
Maes, Bert U. W.

Publication type:

Article

Brønsted Acid Catalyzed Tandem Defunctionalization of Biorenewable Ferulic acid and Derivates into Bio‐Catechol.

Published in:

Angewandte Chemie, 2020, v. 132, n. 8, p. 3087, doi. 10.1002/ange.201913023

By:

Bomon, Jeroen;
Van Den Broeck, Elias;
Bal, Mathias;
Liao, Yuhe;
Sergeyev, Sergey;
Van Speybroeck, Veronique;
Sels, Bert F.;
Maes, Bert U. W.

Publication type:

Article

A Switchable Domino Process for the Construction of Novel CO2‐Sourced Sulfur‐Containing Building Blocks and Polymers.

Published in:

Angewandte Chemie, 2019, v. 131, n. 34, p. 11894, doi. 10.1002/ange.201905969

By:

Ouhib, Farid;
Grignard, Bruno;
Van Den Broeck, Elias;
Luxen, André;
Robeyns, Koen;
Van Speybroeck, Veronique;
Jerome, Christine;
Detrembleur, Christophe

Publication type:

Article

Frontiers in Modeling Metal–Organic Frameworks.

Published in:

Advanced Theory & Simulations, 2019, v. 2, n. 11, p. N.PAG, doi. 10.1002/adts.201900196

By:

Civalleri, Bartolomeo;
Maurin, Guillaume;
Van Speybroeck, Veronique

Publication type:

Article

Modeling Gas Adsorption in Flexible Metal–Organic Frameworks via Hybrid Monte Carlo/Molecular Dynamics Schemes.

Published in:

Advanced Theory & Simulations, 2019, v. 2, n. 4, p. N.PAG, doi. 10.1002/adts.201800177

By:

Rogge, Sven M. J.;
Goeminne, Ruben;
Demuynck, Ruben;
Gutiérrez‐Sevillano, Juan José;
Vandenbrande, Steven;
Vanduyfhuys, Louis;
Waroquier, Michel;
Verstraelen, Toon;
Van Speybroeck, Veronique

Publication type:

Article

A general synthesis of azetidines by copper-catalysed photoinduced anti-Baldwin radical cyclization of ynamides.

Published in:

Nature Communications, 2022, v. 13, n. 1, p. 1, doi. 10.1038/s41467-022-28098-x

By:

Jacob, Clément;
Baguia, Hajar;
Dubart, Amaury;
Oger, Samuel;
Thilmany, Pierre;
Beaudelot, Jérôme;
Deldaele, Christopher;
Peruško, Stefano;
Landrain, Yohann;
Michelet, Bastien;
Neale, Samuel;
Romero, Eugénie;
Moucheron, Cécile;
Van Speybroeck, Veronique;
Theunissen, Cédric;
Evano, Gwilherm

Publication type:

Article

Acidity Constant (p Ka) Calculation of Large Solvated Dye Molecules: Evaluation of Two Advanced Molecular Dynamics Methods.

Published in:

ChemPhysChem, 2016, v. 17, n. 21, p. 3447, doi. 10.1002/cphc.201600734

By:

De Meyer, Thierry;
Ensing, Bernd;
Rogge, Sven M. J.;
De Clerck, Karen;
Meijer, Evert Jan;
Van Speybroeck, Veronique

Publication type:

Article

Unraveling the Reaction Mechanisms Governing Methanol-to-Olefins Catalysis by Theory and Experiment.

Published in:

ChemPhysChem, 2013, v. 14, n. 8, p. 1526, doi. 10.1002/cphc.201201023

By:

Hemelsoet, Karen;
Van der Mynsbrugge, Jeroen;
De Wispelaere, Kristof;
Waroquier, Michel;
Van Speybroeck, Veronique

Publication type:

Article

Validation of DFT-Based Methods for Predicting Qualitative Thermochemistry of Large Polyaromatics.

Published in:

ChemPhysChem, 2011, v. 12, n. 6, p. 1100, doi. 10.1002/cphc.201000788

By:

Hemelsoet, Karen;
De Vleeschouwer, Freija;
Van Speybroeck, Veronique;
De Proft, Frank;
Geerlings, Paul;
Waroquier, Michel

Publication type:

Article

Carbon-Centered Radical Addition and β-Scission Reactions: Modeling of Activation Energies and Pre-exponential Factors.

Published in:

ChemPhysChem, 2009, v. 10, n. 12, p. 1951, doi. 10.1002/cphc.200990047

By:

Sabbe, Maarten K.;
Reyniers, Marie-Françoise;
Van Speybroeck, Veronique;
Waroquier, Michel;
Marin, Guy B.

Publication type:

Article

A DFT-Based Investigation of Hydrogen Abstraction Reactions from Methylated Polycyclic Aromatic Hydrocarbons.

Published in:

ChemPhysChem, 2008, v. 9, n. 16, p. 2349, doi. 10.1002/cphc.200800475

By:

Hemelsoet, Karen;
Van Speybroeck, Veronique;
Waroquier, Michel

Publication type:

Article

Carbon-Centered Radical Addition and β-Scission Reactions: Modeling of Activation Energies and Pre-exponential Factors.

Published in:

ChemPhysChem, 2008, v. 9, n. 1, p. 124, doi. 10.1002/cphc.200700469

By:

Sabbe, Maarten K.;
Reyniers, Marie-Françoise;
Van Speybroeck, Veronique;
Waroquier, Michel;
Marin, Guy B.

Publication type:

Article

Ab Initio Study of Poly(vinyl chloride) Propagation Kinetics: Head-to-Head versus Head-to-Tail Additions.

Published in:

ChemPhysChem, 2007, v. 8, n. 4, p. 541, doi. 10.1002/cphc.200600659

By:

Van Cauter, Karen;
Van Speybroeck, Veronique;
Waroquier, Michel

Publication type:

Article

Hydrocarbon Bond Dissociation Enthalpies: From Substituted Aromatics to Large Polyaromatics.

Published in:

ChemPhysChem, 2006, v. 7, n. 10, p. 2205, doi. 10.1002/cphc.200600161

By:

Veronique Van Speybroeck;
Guy B. Marin;
Michel Waroquier

Publication type:

Article

Ab Initio Study of Free-Radical Polymerization: Polyethylene Propagation Kinetics.

Published in:

ChemPhysChem, 2006, v. 7, n. 1, p. 131, doi. 10.1002/cphc.200500249

By:

Karen Van Cauter;
Veronique Van Speybroeck;
Peter Vansteenkiste;
Marie-Francoise Reyniers;
Michel Waroquier

Publication type:

Article

Ab Initio Group Contribution Method for Activation Energies of Hydrogen Abstraction Reactions.

Published in:

ChemPhysChem, 2006, v. 7, n. 1, p. 188, doi. 10.1002/cphc.200500206

By:

Mark Saeys;
Marie-Françoise Reyniers;
Veronique Van Speybroeck;
Michel Waroquier;
Guy B. Marin

Publication type:

Article

The Kinetics of Cyclization Reactions on Polyaromatics from First Principles.

Published in:

ChemPhysChem, 2002, v. 3, n. 10, p. 863, doi. 10.1002/1439-7641(20021018)3:10<863::AID-CPHC863>3.0.CO;2-P

By:

Van Speybroeck, Veronique;
Reyniers, Marie-Françoise;
Marin, Guy B.;
Waroquier, Michel

Publication type:

Article

Full Theoretical Cycle for both Ethene and Propene Formation during Methanol-to-Olefin Conversion in H-ZSM-5.

Published in:

ChemCatChem, 2011, v. 3, n. 1, p. 208, doi. 10.1002/cctc.201000286

By:

Lesthaeghe, David;
Van der Mynsbrugge, Jeroen;
Vandichel, Matthias;
Waroquier, Michel;
Van Speybroeck, Veronique

Publication type:

Article

The Effect of Confined Space on the Growth of Naphthalenic Species in a Chabazite-Type Catalyst: A Molecular Modeling Study.

Published in:

ChemCatChem, 2009, v. 1, n. 3, p. 373, doi. 10.1002/cctc.200900208

By:

Hemelsoet, Karen;
Nollet, Arno;
Vandichel, Matthias;
Lesthaeghe, David;
Van Speybroeck, Veronique;
Waroquier, Michel

Publication type:

Article

Cover Picture: The Effect of Confined Space on the Growth of Naphthalenic Species in a Chabazite-Type Catalyst: A Molecular Modeling Study (ChemCatChem 3/2009).

Published in:

ChemCatChem, 2009, v. 1, n. 3, p. 329, doi. 10.1002/cctc.200990009

By:

Hemelsoet, Karen;
Nollet, Arno;
Vandichel, Matthias;
Lesthaeghe, David;
Van Speybroeck, Veronique;
Waroquier, Michel

Publication type:

Article

Facile Synthesis of Cooperative Acid-Base Catalysts by Clicking Cysteine and Cysteamine on an Ethylene-Bridged Periodic Mesoporous Organosilica.

Published in:

European Journal of Inorganic Chemistry, 2016, v. 2016, n. 13/14, p. 2144, doi. 10.1002/ejic.201501179

By:

Ouwehand, Judith;
Lauwaert, Jeroen;
Esquivel, Dolores;
Hendrickx, Kevin;
Van Speybroeck, Veronique;
Thybaut, Joris W.;
Van Der Voort, Pascal

Publication type:

Article

Entropy-Driven Chemisorption of NO x on Phosphotungstic Acid.

Published in:

Angewandte Chemie International Edition, 2012, v. 51, n. 44, p. 11010, doi. 10.1002/anie.201205636

By:

Heylen, Steven;
Joos, Lennart;
Parac-Vogt, Tatjana N.;
Van Speybroeck, Veronique;
Kirschhock, Christine E. A.;
Martens, Johan A.

Publication type:

Article

Electronic Effects of Linker Substitution on Lewis Acid Catalysis with Metal-Organic Frameworks.

Published in:

Angewandte Chemie International Edition, 2012, v. 51, n. 20, p. 4887, doi. 10.1002/anie.201108565

By:

Vermoortele, Frederik;
Vandichel, Matthias;
Van de Voorde, Ben;
Ameloot, Rob;
Waroquier, Michel;
Van Speybroeck, Veronique;
De Vos, Dirk E.

Publication type:

Article

Scope and Mechanism of the (4+3) Cycloaddition Reaction of Furfuryl Cations.

Published in:

Angewandte Chemie International Edition, 2011, v. 50, n. 50, p. 11990, doi. 10.1002/anie.201104930

By:

Winne, Johan M.;
Catak, Saron;
Waroquier, Michel;
Van Speybroeck, Veronique

Publication type:

Article

Back Cover: Scope and Mechanism of the (4+3) Cycloaddition Reaction of Furfuryl Cations (Angew. Chem. Int. Ed. 50/2011).

Published in:

Angewandte Chemie International Edition, 2011, v. 50, n. 50, p. 12110, doi. 10.1002/anie.201106645

By:

Winne, Johan M.;
Catak, Saron;
Waroquier, Michel;
Van Speybroeck, Veronique

Publication type:

Article

A Complete Catalytic Cycle for Supramolecular Methanol-to-Olefins Conversion by Linking Theory with Experiment.

Published in:

Angewandte Chemie International Edition, 2008, v. 47, n. 28, p. 5179, doi. 10.1002/anie.200705453

By:

McCann, David M.;
Lesthaeghe, David;
Kletnieks, Philip W.;
Guenther, Darryl R.;
Hayman, Miranda J.;
Van Speybroeck, Veronique;
Waroquier, Michel;
Haw, James F.

Publication type:

Article

Cover Picture: A Complete Catalytic Cycle for Supramolecular Methanol-to-Olefins Conversion by Linking Theory with Experiment (Angew. Chem. Int. Ed. 28/2008).

Published in:

Angewandte Chemie International Edition, 2008, v. 47, n. 28, p. 5095, doi. 10.1002/anie.200890132

By:

McCann, David M.;
Lesthaeghe, David;
Kletnieks, Philip W.;
Guenther, Darryl R.;
Hayman, Miranda J.;
Van Speybroeck, Veronique;
Waroquier, Michel;
Haw, James F.

Publication type:

Article

Ab Initio Group Contribution Method for Activation Energies for Radical Additions.

Published in:

AIChE Journal, 2004, v. 50, n. 2, p. 426, doi. 10.1002/aic.10038

By:

Saeys, Mark;
Reyniers, Marie-Françoise;
Marin, Guy B.;
Van Speybroeck, Veronique;
Waroquier, Michel

Publication type:

Article

Unraveling the Mechanisms of Zirconium Metal–Organic Frameworks‐Based Mixed‐Matrix Membranes Preventing Polysulfide Shuttling.

Published in:

Small Science, 2024, v. 4, n. 6, p. 1, doi. 10.1002/smsc.202300339

By:

Lu, Wenqing;
Pang, Zhenfeng;
Lamaire, Aran;
Liu, Fu;
Dai, Shan;
Pinto, Moisés L.;
Demir‐Cakan, Rezan;
Ooi Tan, Kong;
Van Speybroeck, Veronique;
Pimenta, Vanessa;
Serre, Christian

Publication type:

Article

Machine learning potentials for metal-organic frameworks using an incremental learning approach.

Published in:

NPJ Computational Materials, 2023, v. 9, n. 1, p. 1, doi. 10.1038/s41524-023-00969-x

By:

Vandenhaute, Sander;
Cools-Ceuppens, Maarten;
DeKeyser, Simon;
Verstraelen, Toon;
Van Speybroeck, Veronique

Publication type:

Article

Nuclear quantum effects on zeolite proton hopping kinetics explored with machine learning potentials and path integral molecular dynamics.

Published in:

Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-36666-y

By:

Bocus, Massimo;
Goeminne, Ruben;
Lamaire, Aran;
Cools-Ceuppens, Maarten;
Verstraelen, Toon;
Van Speybroeck, Veronique

Publication type:

Article

Elucidating the Structural Isomerism of Fluorescent Strigolactone Analogue CISA-1 (Eur. J. Org. Chem. 6/2015).

Published in:

European Journal of Organic Chemistry, 2015, v. 2015, n. 6, p. n/a, doi. 10.1002/ejoc.201590012

By:

Goossens, Hannelore;
Heugebaert, Thomas S. A.;
Dereli, Busra;
Van Overtveldt, Melissa;
Karahan, Ozlem;
Dogan, Ilknur;
Waroquier, Michel;
Van Speybroeck, Veronique;
Aviyente, Viktorya;
Catak, Saron;
Stevens, Christian V.

Publication type:

Article

Elucidating the Structural Isomerism of Fluorescent Strigolactone Analogue CISA-1.

Published in:

European Journal of Organic Chemistry, 2015, v. 2015, n. 6, p. 1211, doi. 10.1002/ejoc.201403457

By:

Goossens, Hannelore;
Heugebaert, Thomas S. A.;
Dereli, Busra;
Van Overtveldt, Melissa;
Karahan, Ozlem;
Dogan, Ilknur;
Waroquier, Michel;
Van Speybroeck, Veronique;
Aviyente, Viktorya;
Catak, Saron;
Stevens, Christian V.

Publication type:

Article