Liesbeth De Bruecker

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A1 Publications

Published

2023

On the Prediction of Spectroscopic Fingerprints of Co2+ Complexes Relevant for the ZIF Nucleation Process , L. De Bruecker, M. Filez, V. Van Speybroeck , Inorganic Chemistry , Volume: 62, Issue: 40, Pages: 16304-16322 , 2023

2022

Influence of the number of ligands and point group on the electronic structure of Co2+ aqua-complexes , L. De Bruecker, V. Van Speybroeck , Inorganic Chemistry , 61, 51, 20743–20756 , 2022 , IF: 5.436 , 5/46 [Q1]

2020

Structural and photophysical properties of various polypyridyl ligands: A combined experimental and computational study , L. De Bruecker, J. Everaert, P. Van der Voort, C.V. Stevens, M. Waroquier, V. Van Speybroeck , ChemPhysChem , 21 (22), 2489–2505 , 2020 , IF: 3.102 , 11/37 [Q2]

2019

Optical Properties of Isolated and Covalent Organic Framework-Embedded Ruthenium Complexes , F. Muniz-Miranda, L. De Bruecker, A. De Vos, F. Vanden Bussche, C.V. Stevens, P. Van der Voort, K. Lejaeghere, V. Van Speybroeck , Journal of Physical Chemistry A , 123 (32), 6854-6867 , 2019 , IF: 2.600 , 15/37 [Q2]

Other Publications

B publications

2023

Operando Methods in Catalysis and Material Science , A.E.J. Hoffman, P. Cnudde, L. De Bruecker, S.M.J. Rogge, V. Van Speybroeck , Wiley-VCH , ISBN in press , 2023

Dissertations

(D1) , Spectroscopic Fingerprint of Electronic Excitations in Nanoporous Frameworks and Transition Metal Complexes , L. De Bruecker , Supervisor(s): Prof. Dr. ir. V. Van Speybroeck , 29/08/2023
(D2) , Including nuclear quantum effects via path integral techniques to accurately model breathing in metal-organic frameworks , L. De Bruecker , Supervisor(s): Prof. Dr. ir. Veronique Van Speybroeck , 2018

Keynote / Plenary / Invited talks

Talks

2021

Zeolite-catalyzed benzene ethylation: New mechanistic insights from an old-school reaction class , M. Bocus, L. De Bruecker, L. Vanduyfhuys, V. Van Speybroeck , ACS Spring 2021 , Online , Mon, 05/04/2021 to Fri, 30/04/2021

Posters

2022 - 2024

Computational Study of the Electronic Structure of Co2+ Aqua-Complexes , L. De Bruecker, V. Van Speybroeck , DFT2022 , Brussels Belgium , Mon, 29/08/2022 to Fri, 02/09/2022

2019

Nuclear quantum effects in metal-organic frameworks , A. Lamaire, J. Wieme, S.M.J. Rogge, L. De Bruecker, V. Van Speybroeck , MOFSIM2019 , Ghent, Belgium , Wed, 10/04/2019 to Fri, 12/04/2019

2018

Nuclear quantum effects in metal-organic frameworks , A. Lamaire, J. Wieme, S.M.J. Rogge, L. De Bruecker, V. Van Speybroeck , Ab initio Modeling in Solid State Chemistry , Torino, Italy , Wed, 05/09/2018
Nuclear quantum effects in metal-organic frameworks , A. Lamaire, J. Wieme, S.M.J. Rogge, L. De Bruecker, V. Van Speybroeck , Path Integral Quantum Mechanics: From the Basics to the Latest Developments , Lausanne, Switzerland , Wed, 27/06/2018
Nuclear quantum effects in metal-organic frameworks , A. Lamaire, J. Wieme, S.M.J. Rogge, L. De Bruecker, V. Van Speybroeck , Solvay New Horizons Lectures in Chemistry , Zwijnaarde, Belgium , Fri, 01/06/2018

Funding