Research Explorer

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Project

Model based synthesis of Covalent Organic Frameworks (COFs) for heterogeneous catalysis in flow.

Outputs and Outcomes

Publications

Transforming 2D imine into 3D thiazole covalent organic frameworks by conjugated connectors : fully conjugated photocatalysts

maojun dengJeet ChakrabortyGuizhen WangKuber Singh RawatLaurens BourdaJiamin SunIpsita NathYanwei JiPieter GeiregatVeronique Van SpeybroeckXiao FengPascal Van Der Voort et al.

A1 Journal Article in JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mesoporous acridinium-based covalent organic framework for long-lived charge-separated exciton mediated photocatalytic [4+2] annulation

Ipsita NathJeet ChakrabortyKuber Singh RawatYanwei JiRundong WangKorneel MolkensNathalie De GeyterRino MorentVeronique Van SpeybroeckPieter GeiregatPascal Van Der Voort et al.

A1 Journal Article in ADVANCED MATERIALS

Computational modeling of reticular materials : the past, the present, and the future

Wim TemmermanRuben GoeminneKuber Singh RawatVeronique Van Speybroeck

A1 Journal Article in ADVANCED MATERIALS

Turning carbon dioxide into dialkyl carbonates through guanidinium-assisted SN2 N2 ion-pair process

Juliette DelcorpsKuber Singh RawatMathilde WellsEmna Ben AyedBruno GrignardChristophe DetrembleurBertrand BlankertPascal GerbauxVeronique Van SpeybroeckOlivier Coulembier

A1 Journal Article in CELL REPORTS PHYSICAL SCIENCE

High-throughput screening of covalent organic frameworks for carbon capture using machine learning

Juul De VosSiddharth RavichandranSander BorgmansLouis VanduyfhuysPascal Van Der VoortSven RoggeVeronique Van Speybroeck

A1 Journal Article in CHEMISTRY OF MATERIALS

Decoding excimer formation in covalent–organic frameworks induced by morphology and ring torsion

Jeet ChakrabortyAmrita ChatterjeeKorneel MolkensIpsita NathDaniel Arenas EstebanLaurens BourdaGeert WatsonChunhui LiuDries Van ThourhoutSara BalsPieter GeiregatPascal Van Der Voort et al.

A1 Journal Article in ADVANCED MATERIALS

Development of porous organic polymers as metal-free photocatalysts for the aromatization of N-heterocycles

Maarten DebruyneNathan RaeymackersHenk VrielinckSambhu RadhakrishnanEric BreynaertMaxime DelaeyAndreas LaemontKaren LeusJonas EveraertHannes RijckaertDirk PoelmanRino MorentNathalie De GeyterPascal Van Der VoortVeronique Van SpeybroeckChristian StevensThomas Heugebaert et al.

A1 Journal Article in CHEMCATCHEM

On the prediction of spectroscopic fingerprints of Co2+ complexes relevant for the ZIF nucleation process

Liesbeth De BrueckerMatthias FilezVeronique Van Speybroeck

A1 Journal Article in INORGANIC CHEMISTRY

OGRe : optimal grid refinement protocol for accurate free energy surfaces and its application in proton hopping in zeolites and 2D COF stacking

Sander BorgmansSven RoggeLouis VanduyfhuysVeronique Van Speybroeck

A1 Journal Article in JOURNAL OF CHEMICAL THEORY AND COMPUTATION

Super-oxidizing covalent triazine framework electrocatalyst for two-electron water oxidation to H2O2

Ruqia KhanJeet ChakrabortyKuber Singh RawatRino MorentNathalie De GeyterVeronique Van SpeybroeckPascal Van Der Voort

A1 Journal Article in ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Absorbing stress via molecular crumple zones : strain engineering flexibility into the rigid UiO-66 material

Sven RoggeSander BorgmansVeronique Van Speybroeck

A1 Journal Article in MATTER

Pyrene‐based covalent organic frameworks for photocatalytic hydrogen peroxide production

Jiamin SunJena HimanshuChidharth KrishnarajKuber Singh RawatSara AbednatanziJeet ChakrabortyAndreas LaemontWanlu LiuHui ChenYing-Ya LiuKaren LeusHenk VrielinckVeronique Van SpeybroeckPascal Van Der Voort et al.

A1 Journal Article in ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

ReDD-COFFEE : a ready-to-use database of covalent organic framework structures and accurate force fields to enable high-throughput screenings

Juul De VosSander BorgmansPascal Van Der VoortSven RoggeVeronique Van Speybroeck

A1 Journal Article in JOURNAL OF MATERIALS CHEMISTRY A

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

Sander VandenhauteMaarten Cools-CeuppensSimon DeKeyserToon VerstraelenVeronique Van Speybroeck

A1 Journal Article in NPJ COMPUTATIONAL MATERIALS

Exploring the phase stability in interpenetrated diamondoid covalent organic frameworks

Sander BorgmansSven RoggeJuul De VosPascal Van Der VoortVeronique Van Speybroeck

A1 Journal Article in COMMUNICATIONS CHEMISTRY

Influence of number of ligands and point group on the electronic structure of Co2 aqua-complexes

Liesbeth De BrueckerVeronique Van Speybroeck

A1 Journal Article in INORGANIC CHEMISTRY

Synthesis of nitrile-functionalized polydentate N-heterocycles as building blocks for covalent triazine frameworks

Jonas EveraertMaarten DebruyneFlore Vanden BusscheKristof Van HeckeThomas HeugebaertPascal Van Der VoortVeronique Van SpeybroeckChristian Stevens

A1 Journal Article in SYNTHESIS-STUTTGART

N‐rich porous polymer with isolated Tb3+‐ions displays unique temperature dependent behavior through the absence of thermal quenching

Flore Vanden BusscheAnna KaczmarekSavita Kaliya Perumal VeerapandianJonas EveraertMaarten DebruyneSara AbednatanziRino MorentNathalie De GeyterVeronique Van SpeybroeckPascal Van Der VoortChristian Stevens et al.

A1 Journal Article in CHEMISTRY-A EUROPEAN JOURNAL