Projecten per jaar
Vingerafdruk
- 1 Soortgelijke profielen
Samenwerkingen en hoofdonderzoeksgebieden uit de afgelopen vijf jaar
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SRP73: SRP-Onderzoekszwaartepunt: Begrijpen, voorspellen en op maat maken van moleculaire en materiaaleigenschappen en reactiviteit door gecombineerde conceptuele en computational kwantumchemische aanpakken
De Proft, F., Tielens, F., Alonso Giner, M. & De Vleeschouwer, F.
1/11/22 → 31/10/27
Project: Fundamenteel
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FWOTM1013: Rationeel moleculair ontwerp van fotoschakelaars voor niet-lineaire optische toepassingen
Desmedt, E., Alonso Giner, M. & De Vleeschouwer, F.
1/11/20 → 31/10/24
Project: Fundamenteel
Onderzoeksoutput
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Breaking Down the Building Blocks: Quantum Chemical Analysis of Diels–Alder Reactions for Future Self-Healing and Recyclable Polymer Networks
Vermeersch, L., Verhelle, R., Brande, N. V. D. & Vleeschouwer, F. D., 14 jan 2025, In: Macromolecules. 58, 1, blz. 32-44 13 blz.Onderzoeksoutput: Article › peer review
1 Citaat (Scopus) -
Aromaticity in the Spectroscopic Spotlight of Hexaphyrins
Desmedt, E., Casademont‐Reig, I., Monreal‐Corona, R., Vleeschouwer, F. D. & Alonso, M., 12 aug 2024, In: Chemistry – A European Journal. 30, 52, blz. 1-14 14 blz., e202401933.Onderzoeksoutput: Article › peer review
2 Citaten (Scopus) -
Computational Insights into Tunable Reversible Network Materials: Accelerated ReaxFF Kinetics of Furan-Maleimide Diels–Alder Reactions for Self-Healing and Recyclability
Vermeersch, L., Wang, T., Brande, N. V. D., Vleeschouwer, F. D. & Duin, A. C. T. V., 5 dec 2024, In: The Journal of Physical Chemistry A. 128, 48, blz. 10431-10439 9 blz.Onderzoeksoutput: Article › peer review
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Deciphering nonlinear optical properties in functionalized hexaphyrins via explainable machine learning
Desmedt, E., Jacobs, M., Alonso Giner, M. & Vleeschouwer, F. D., 7 nov 2024, In: Physical Chemistry Chemical Physics. 27, 3, blz. 1256-1273 18 blz.Onderzoeksoutput: Article › peer review
1 Citaat (Scopus) -
Application of Inverse Design Approaches to the Discovery of Nonlinear Optical Switches
Desmedt, E., Gimenez, L. S., Vleeschouwer, F. D. & Alonso, M., nov 2023, In: Molecules. 28, 21, 21 blz., 7371.Onderzoeksoutput: Article › peer review
Open AccessBestand2 Citaten (Scopus)25 Downloads (Pure)
Prijzen
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FWO postdoctoral fellowship (1227014N): “Development, Implementation and Application of the Design of Molecules with Optimal Properties within the Framework of Conceptual Density Functional Theory”
De Vleeschouwer, Freija (Recipient), 2010
Prijs: Fellowship awarded competitively
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FWO postdoctoral fellowship (1227014N): “Inverse Molecular Design in Stable Radical Chemistry: Optimizing Molecular Properties within the Framework of Conceptual Density Functional Theory”
De Vleeschouwer, Freija (Recipient), 2013
Prijs: Fellowship awarded competitively
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Poster prize at the 15th International Congress of Quantum Chemistry (ICQC), Beijing, China
De Vleeschouwer, Freija (Recipient), 13 jun 2015
Prijs: Prize (including medals and awards)
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Research Professor in Basic, Nature & Applied Sciences (0.1 ZAP)
De Vleeschouwer, Freija (Recipient), 1 okt 2020
Prijs: Appointment
Activiteiten
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Scheikunde (Organisatie)
Freija De Vleeschouwer (Member)
2022 → …Activiteit: Work on academic committees and working groups
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Angewandte Chemie (Tijdschrift)
Freija De Vleeschouwer (Editor)
2022 → …Activiteit: Publication peer-review
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Research stay at Palacky University Olomouc within the context of granted joint exchange / mobility project (VS07412N)
Freija De Vleeschouwer (Participant) & Jirí Pospísil (Host)
30 mei 2022 → 3 jun 2022Activiteit: Research and Teaching at External Organisation
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19th International Conference on Density Functional Theory and its Applications
Freija De Vleeschouwer (Organiser)
28 aug 2022 → 2 sep 2022Activiteit: Participating in or organizing an event at an external academic organisation
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Research stay at Palacky University Olomouc within the context of granted joint exchange / mobility project (VS07412N)
Eline Desmedt (Participant), Freija De Vleeschouwer (Supervisor) & Jirí Pospísil (Host)
30 mei 2022 → 10 jun 2022Activiteit: Research and Teaching at External Organisation
Scriptie
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Benchmarking Multiscale Model of Self-Healing Materials: Integrating ReaxFF based Molecular Dynamics for Covalent Adaptable Networks Development
Auteur: Vermeersch, L., De Vleeschouwer, F., Mangialetto, J. & Delvalle, K., 2025Scriptie/Masterproef: Master's Thesis
Bestand -
Computational DFT study and organic synthesis of QNO radical derivatives
Auteur: Hendrickx, A., Hennecke, U., De Vleeschouwer, F., Bertouille, J., Desmedt, E., De Proft, F. & Martin, C., jun 2021Scriptie/Masterproef: Master's Thesis
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Designing stable and redox active radicals through the chemical compound space via a stochastic search
Auteur: Denayer, M., De Vleeschouwer, F., Teunissen, J., Hennecke, U. & Geerlings, P., sep 2019Scriptie/Masterproef: Master's Thesis
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Frustrated Lewis Pairs: Rationalizing the Non-Covalent Interactions
Auteur: Top, J., Pinter, B. & De Vleeschouwer, F., 2014Scriptie/Masterproef: Master's Thesis
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Predicting global and local reactivity descriptors, the neural network approach
Auteur: Jacobs, M., De Vleeschouwer, F., Vermeersch, L., Geerlings, P. & Elskens, M., sep 2022Scriptie/Masterproef: Master's Thesis